SCHEMBL5029504

SCHEMBL5029504

Cc1cc(-c2ccncc2)sc1-c1ccc(C(N)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.53
ESR2 Q92731 1/20 0.53
CDC7 O00311 2/20 0.50
DBF4 Q9UBU7 1/20 0.50
MKNK1 Q9BUB5 4/20 0.46
MKNK2 Q9HBH9 4/20 0.46
CYP17A1 P05093 1/20 0.46
CHEK2 O96017 2/20 0.45
MAPK14 Q16539 2/20 0.45
CSNK1D P48730 1/20 0.45
CSNK1E P49674 1/20 0.45
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
STK17B O94768 1/20 0.41
MAP3K8 P41279 1/20 0.41
STK17A Q9UEE5 1/20 0.41
ABHD6 Q9BV23 1/20 0.41
GPR52 Q9Y2T5 1/20 0.41
LRRK2 Q5S007 1/20 0.40
JAK2 O60674 1/20 0.40

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
SCHEMBL5033803 0.85 ESR1 (0.48) ESR1ESR2MKNK1MKNK2CHEK2
SCHEMBL5029508 0.81 ESR1 (0.56) ESR1ESR2CDC7DBF4CYP17A1
SCHEMBL5033802 0.79 AR (0.46) ESR1ESR2MKNK1MKNK2GPR52
SCHEMBL5032068 0.79 CHEK2 (0.50) ESR1ESR2CDC7MKNK1MKNK2
SCHEMBL5032076 0.78 MKNK1 (0.44) ESR1ESR2CDC7MKNK1MKNK2
SCHEMBL5033854 0.78 MYC (0.46) ESR1ESR2MKNK1MKNK2CHEK2
SCHEMBL4197079 0.76 CDC7 (0.58) CDC7DBF4JAK2
SCHEMBL3104632 0.75 CYP17A1 (0.72) CDC7MKNK1MKNK2CYP17A1CHEK2
Hydrochloric Acid SCHEMBL4442122 0.73 CYP17A1 (0.70) CDC7MKNK1MKNK2CYP17A1CHEK2
SCHEMBL14360826 0.73 TYK2 (0.46) ESR1ESR2

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 3387/4885CDC7 4157/4885

“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.