SCHEMBL164838

SCHEMBL164838

CCOC(=O)c1nc(Cl)c2ccsc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
KMT2A Q03164 5/20 0.45
NPSR1 Q6W5P4 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 2/20 0.41
PKM P14618 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CYP1A2 P05177 3/20 0.41
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 3/20 0.39
GAA P10253 2/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39

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
SCHEMBL29720445 0.84 MAPT (0.46) MAPTKMT2ANPSR1NPC1RAB9A
SCHEMBL5117506 0.81 MAPT (0.44) MAPTKMT2ANPSR1NPC1RAB9A
SCHEMBL163775 0.80 KMT2A (0.42) MAPTKMT2ANPSR1NPC1RAB9A
SCHEMBL163783 0.79 MAPT (0.40) MAPTKMT2ANPSR1NPC1RAB9A
SCHEMBL6638825 0.78 MAPT (0.46) MAPTKMT2ANPSR1NPC1RAB9A
SCHEMBL29720665 0.77 HTR2C (0.44) KMT2APKMCYP1A2SMN1; SMN2GAA
SCHEMBL15738755 0.76 MAPT (0.44) MAPTKMT2ANPSR1NPC1RAB9A
SCHEMBL165825 0.76 MAPT (0.40) MAPTKMT2ANPSR1NPC1RAB9A
SCHEMBL161315 0.75 SMN1; SMN2 (0.61) MAPTKMT2ANPSR1POLBCYP1A2
SCHEMBL1966304 0.75 HSD17B10 (0.40) MAPTKMT2ANPSR1SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227466-A1 SUBSTITUTED THIENOPYRIMIDINES THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, LLC 2023-07-20 US disclosed
EP-4168414-A1 SUBSTITUTED THIENOPYRIMIDINES THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE Shy Therapeutics LLC (US) 2023-04-26 EP disclosed
WO-2021257828-A9 SUBSTITUTED THIENOPYRIMIDINES THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, LLC (US) 2022-07-21 WO disclosed
US-20130317045-A1 THIENOPYRIDINE AND THIENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-11-28 US disclosed
EP-2611812-A1 THIENOPYRIDINE AND THIENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 EP disclosed
WO-2012030894-A1 THIENOPYRIDINE AND THIENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 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 (2 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-20130317045-A1 THIENOPYRIDINE AND THIENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, TYK2 MAPT 2618/4885KMT2A 1220/4885NPSR1 4552/4885
US-20230227466-A1 SUBSTITUTED THIENOPYRIMIDINES THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE KRAS, G3BP1, NRAS MAPT 4465/4885KMT2A 3255/4885NPSR1 4595/4885

“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.