SCHEMBL4740163

SCHEMBL4740163

Clc1nc(-c2ccccn2)nc2ccsc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.60
ADORA2A P29274 3/20 0.55
ADORA1 P30542 3/20 0.55
SLC2A1 P11166 2/20 0.52
KDM4E B2RXH2 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
ALOX15 P16050 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
AXL P30530 1/20 0.45
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20665356 0.83 ADORA1 (0.53) METAP1ADORA2AADORA1SLC2A1KDM4E
SCHEMBL577738 0.83 ADORA2A (0.53) METAP1ADORA2AADORA1SLC2A1KDM4E
SCHEMBL15692154 0.83 ADORA2A (0.57) METAP1ADORA2AADORA1SLC2A1KDM4E
SCHEMBL577737 0.83 ADORA1 (0.53) METAP1ADORA2AADORA1SLC2A1KDM4E
SCHEMBL13222014 0.80 ADORA2A (0.53) METAP1ADORA2AADORA1SLC2A1KDM4E
SCHEMBL13242410 0.80 ADORA2A (0.60) METAP1ADORA2AADORA1SLC2A1KDM4E
SCHEMBL8140885 0.80 ADORA2A (0.53) METAP1ADORA2AADORA1SLC2A1KDM4E
SCHEMBL3039303 0.79 NPC1 (0.49) METAP1ADORA2AADORA1KDM4ETDP1
SCHEMBL14104062 0.78 MEN1 (0.55) ADORA2AADORA1TDP1LMNAL3MBTL1
SCHEMBL8381283 0.77 ADORA2A (0.57) METAP1ADORA2AADORA1SLC2A1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3642209-B1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY Therapeutics LLC (US) 2023-11-29 EP disclosed
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease SHY Therapeutics LLC (US) 2023-05-18 US disclosed
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease SHY Therapeutics LLC (US) 2023-05-18 US disclosed
US-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2023-01-03 US disclosed
US-11213515-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2022-01-04 US disclosed
US-11026930-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-06-08 US disclosed
US-11000515-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-05-11 US disclosed
US-10940139-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-03-09 US disclosed
US-10933054-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-03-02 US disclosed
US-20200121660-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, INC. 2020-04-23 US disclosed
US-10588894-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2020-03-17 US disclosed
US-20200061037-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, INC. 2020-02-27 US disclosed
US-20200054614-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, INC. 2020-02-20 US disclosed
US-20190022074-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY Therapeutics LLC 2019-01-24 US disclosed
WO-2008086053-A1 HCV INHIBITORS VIROBAY, INC. (US) 2008-07-17 WO disclosed
WO-2008086053-A1 HCV INHIBITORS VIROBAY, INC. (US) 2008-07-17 WO disclosed
US-20080161254-A1 HCV INHIBITORS VIROBAY, INC. (US) 2008-07-03 US disclosed
US-20080161254-A1 HCV INHIBITORS VIROBAY, INC. (US) 2008-07-03 US disclosed
US-20080161254-A1 HCV INHIBITORS VIROBAY, INC. (US) 2008-07-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080161254-A1 HCV INHIBITORS HAVCR2, ZC3HAV1, EIF2AK2 METAP1 254/4885ADORA2A 3228/4885ADORA1 2845/4885
US-11000515-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS METAP1 3579/4885ADORA2A 4649/4885ADORA1 4738/4885
US-20200121660-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS METAP1 3579/4885ADORA2A 4649/4885ADORA1 4738/4885
US-10588894-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS METAP1 3579/4885ADORA2A 4649/4885ADORA1 4738/4885
US-10940139-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS METAP1 3579/4885ADORA2A 4649/4885ADORA1 4738/4885
US-11026930-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS METAP1 3579/4885ADORA2A 4649/4885ADORA1 4738/4885
US-20200054614-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS METAP1 3579/4885ADORA2A 4649/4885ADORA1 4738/4885
US-11213515-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS METAP1 3579/4885ADORA2A 4649/4885ADORA1 4738/4885
US-10933054-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS METAP1 3579/4885ADORA2A 4649/4885ADORA1 4738/4885
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease HRAS, KRAS, NRAS METAP1 3579/4885ADORA2A 4649/4885ADORA1 4738/4885
US-20190022074-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS METAP1 3579/4885ADORA2A 4649/4885ADORA1 4738/4885
US-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease HRAS, KRAS, NRAS METAP1 3579/4885ADORA2A 4649/4885ADORA1 4738/4885
US-20200061037-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS METAP1 3579/4885ADORA2A 4649/4885ADORA1 4738/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.