SCHEMBL9105113

SCHEMBL9105113

COCC(=O)N1CCC(NC(=O)c2c(C)[nH]c3c(-c4ccc(F)cc4OCC4CC4)ccnc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 16/20 0.41
CCNT1 O60563 11/20 0.41
CASP3 P42574 4/20 0.40
CASP7 P55210 4/20 0.40
CDK1 P06493 1/20 0.39
CDK2 P24941 1/20 0.39
HSD17B10 Q99714 1/20 0.37
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPY5R Q15761 1/20 0.36

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
SCHEMBL9103928 0.95 CCNT1 (0.45) CDK9CCNT1
SCHEMBL9108829 0.93 EPHX2 (0.40) CDK9CCNT1CASP3CASP7CDK1
SCHEMBL9106720 0.92 CCNT1 (0.38) CDK9CCNT1HSD17B10MEN1KMT2A
SCHEMBL9106816 0.91 CDK9 (0.47) CDK9CCNT1CASP3CASP7CDK1
SCHEMBL9106930 0.91 CDK9 (0.40) CDK9CCNT1CASP3CASP7KDM5A
SCHEMBL9104252 0.91 CDK9 (0.40) CDK9CCNT1CASP3CASP7KDM5A
SCHEMBL9104237 0.89 CDK9 (0.42) CDK9CCNT1CASP3CASP7CDK1
SCHEMBL9107588 0.89 CDK9 (0.42) CDK9CCNT1CASP3CASP7CDK1
SCHEMBL9104249 0.89 CDK9 (0.42) CDK9CCNT1CASP3CASP7CDK1
SCHEMBL1439111 0.89 HSD17B10 (0.38) CDK9CCNT1HSD17B10KDM5AKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8816085-B2 Methylpyrrolopyridinecarboxamides TAKEDA GMBH (DE) 2014-08-26 US claimed
US-20120142633-A1 METHYLPYRROLOPYRIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-07 US claimed
US-8816085-B2 Methylpyrrolopyridinecarboxamides TAKEDA GMBH (DE) 2014-08-26 US disclosed
US-20120142633-A1 METHYLPYRROLOPYRIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-07 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 (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-20120142633-A1 METHYLPYRROLOPYRIDINECARBOXAMIDES PDE5A, PDE3A, PDE2A CDK9 1048/4885CCNT1 1888/4885CASP3 966/4885

“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.