SCHEMBL9103325

SCHEMBL9103325

CCC(=O)N1CCC(NC(=O)c2c(C)[nH]c3c(-c4cc(F)ccc4OCC4CC4)ccnc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 14/20 0.44
CDK9 P50750 14/20 0.44
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
EPHX2 P34913 3/20 0.40
HSD17B10 Q99714 1/20 0.39
BRD4 O60885 1/20 0.38

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
SCHEMBL9108829 0.95 EPHX2 (0.40) CCNT1CDK9MEN1KMT2AEPHX2
SCHEMBL9103135 0.94 CCNT1 (0.49) CCNT1CDK9MEN1KMT2A
SCHEMBL9103928 0.93 CCNT1 (0.45) CCNT1CDK9
SCHEMBL9107573 0.92 EPHX2 (0.39) CCNT1CDK9EPHX2HSD17B10
SCHEMBL9103993 0.92 CCNT1 (0.42) CCNT1CDK9MEN1KMT2AHSD17B10
SCHEMBL9104266 0.92 CDK9 (0.47) CCNT1CDK9MEN1KMT2ABRD4
SCHEMBL1437591 0.90 EPHX2 (0.42) CCNT1CDK9KMT2AEPHX2HSD17B10
SCHEMBL1437819 0.90 CCNT1 (0.40) CCNT1CDK9MEN1KMT2AHSD17B10
SCHEMBL1442627 0.90 CCNT1 (0.40) CCNT1CDK9MEN1KMT2AHSD17B10
SCHEMBL9897963 0.90 MEN1 (0.40) CCNT1CDK9MEN1KMT2AEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8816085-B2 Methylpyrrolopyridinecarboxamides TAKEDA GMBH (DE) 2014-08-26 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 CCNT1 1888/4885CDK9 1048/4885MEN1 2045/4885

“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.