SCHEMBL5532728

SCHEMBL5532728

Cn1ccnc1-c1nc(O)c2sccc2n1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.54
ADORA1 P30542 10/20 0.54
KDM4E B2RXH2 2/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
PKM P14618 1/20 0.35
SLC2A1 P11166 2/20 0.34
PIK3CA P42336 2/20 0.34
MTOR P42345 2/20 0.34
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SPR P35270 1/20 0.33
ADORA3 P0DMS8 3/20 0.33
ADORA2B P29275 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TGFBR1 P36897 1/20 0.32

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
SCHEMBL8140365 0.81 ADORA2A (0.52) ADORA2AADORA1KDM4ERAB9ANPC1
SCHEMBL5532589 0.78 ADORA2A (0.40) ADORA2AADORA1KDM4ERAB9ANPC1
SCHEMBL24129510 0.76 ADORA2A (0.35) ADORA2AADORA1KDM4ERAB9ANPC1
SCHEMBL5532159 0.73 LATS1 (0.39) ADORA2AADORA1KDM4ERAB9ANPC1
SCHEMBL3675263 0.72 ADORA2A (0.68) ADORA2AADORA1KDM4ECASP1CASP7
SCHEMBL20665342 0.72 CYP17A1 (0.40)
SCHEMBL14104414 0.72 RAB9A (0.49) ADORA2AADORA1RAB9ANPC1PIK3CA
SCHEMBL4784650 0.71 CTSA (0.34) ADORA2AADORA1KDM4EPIK3CAMTOR
SCHEMBL3671744 0.70 ADORA2A (1.00) ADORA2AADORA1KDM4ECASP1CASP7
SCHEMBL5334843 0.70 ADORA2A (0.50) ADORA2AADORA1RAB9ANPC1ADORA3

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20070249637-A1 Inhibitors Of Hepatitis C Virus Protease, And Compositions And Treatments Using The Same COLLINS MICHAEL R 2007-10-25 US disclosed
US-20070249637-A1 Inhibitors Of Hepatitis C Virus Protease, And Compositions And Treatments Using The Same COLLINS MICHAEL R 2007-10-25 US disclosed
US-20070249637-A1 Inhibitors Of Hepatitis C Virus Protease, And Compositions And Treatments Using The Same COLLINS MICHAEL R 2007-10-25 US disclosed
WO-2006043145-A1 INHIBITORS OF HEPATITIS C VIRUS PROTEASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2006-04-27 WO 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-11000515-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS ADORA2A 4649/4885ADORA1 4738/4885KDM4E 4215/4885
US-20200121660-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS ADORA2A 4649/4885ADORA1 4738/4885KDM4E 4215/4885
US-10588894-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS ADORA2A 4649/4885ADORA1 4738/4885KDM4E 4215/4885
US-10940139-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS ADORA2A 4649/4885ADORA1 4738/4885KDM4E 4215/4885
US-11026930-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS ADORA2A 4649/4885ADORA1 4738/4885KDM4E 4215/4885
US-20200054614-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS ADORA2A 4649/4885ADORA1 4738/4885KDM4E 4215/4885
US-11213515-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS ADORA2A 4649/4885ADORA1 4738/4885KDM4E 4215/4885
US-10933054-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS ADORA2A 4649/4885ADORA1 4738/4885KDM4E 4215/4885
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease HRAS, KRAS, NRAS ADORA2A 4649/4885ADORA1 4738/4885KDM4E 4215/4885
US-20190022074-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS ADORA2A 4649/4885ADORA1 4738/4885KDM4E 4215/4885
US-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease HRAS, KRAS, NRAS ADORA2A 4649/4885ADORA1 4738/4885KDM4E 4215/4885
US-20200061037-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS ADORA2A 4649/4885ADORA1 4738/4885KDM4E 4215/4885
US-20070249637-A1 Inhibitors Of Hepatitis C Virus Protease, And Compositions And Treatments Using The Same SERPINB1, CTSC, CTSV ADORA2A 4505/4885ADORA1 3990/4885KDM4E 2302/4885

“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.