SCHEMBL5029508

SCHEMBL5029508

Cc1cc(-c2ccncc2)sc1-c1ccc(N)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.56
ESR2 Q92731 1/20 0.56
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
CYP3A4 P08684 3/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CDC7 O00311 7/20 0.42
DBF4 Q9UBU7 7/20 0.42
APP P05067 2/20 0.41
ROCK1 Q13464 5/20 0.40
CCNE1 P24864 4/20 0.40
CDK2 P24941 4/20 0.40
MAPK14 Q16539 3/20 0.40
CYP17A1 P05093 1/20 0.39
CYP19A1 P11511 1/20 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
SCHEMBL5033807 0.83 ESR1 (0.50) ESR1ESR2HSD17B1HSD17B2CYP3A4
SCHEMBL5029504 0.81 ESR1 (0.53) ESR1ESR2HSD17B1HSD17B2CDC7
SCHEMBL5032069 0.76 KDM4E (0.46) ESR1ESR2HSD17B1HSD17B2CYP3A4
SCHEMBL5033805 0.76 ESR1 (0.43) ESR1ESR2HSD17B1HSD17B2CYP3A4
SCHEMBL12361198 0.75 ESR1 (0.71) ESR1ESR2HSD17B1HSD17B2MAPT
SCHEMBL5033855 0.75 LMNA (0.44) ESR1ESR2HSD17B1HSD17B2CYP3A4
SCHEMBL5032077 0.75 ESR1 (0.42) ESR1ESR2HSD17B1HSD17B2MAPT
SCHEMBL12195658 0.73 KDM4E (0.48) ESR1ESR2CYP3A4MAPTKDM4E
SCHEMBL10205948 0.71 ESR1 (0.66) ESR1ESR2HSD17B1HSD17B2MAPT
SCHEMBL1425928 0.70 KDM4E (0.45) ESR1ESR2CYP3A4MAPTKDM4E

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
EP-1983831-A2 PHENYL AND PYRIDYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-10-29 EP claimed
US-20070275960-A1 Phenyl and pyridyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-29 US claimed
WO-2007087429-A2 PHENYL AND PYRIDYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 WO claimed
EP-1983831-A2 PHENYL AND PYRIDYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-10-29 EP disclosed
US-20070275960-A1 Phenyl and pyridyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-29 US disclosed
WO-2007087429-A2 PHENYL AND PYRIDYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 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 (1 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-20070275960-A1 Phenyl and pyridyl compounds for inflammation and immune-related uses NLRP3, CCR1, NLRP1 ESR1 2368/4885ESR2 3387/4885HSD17B1 2143/4885

“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.