SCHEMBL9108829

SCHEMBL9108829

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.40
CDK9 P50750 10/20 0.40
CCNT1 O60563 7/20 0.40
HSD17B10 Q99714 1/20 0.40
CASP3 P42574 2/20 0.40
CASP7 P55210 2/20 0.40
NPY5R Q15761 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM5A P29375 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
CDK1 P06493 1/20 0.38
CDK2 P24941 1/20 0.38
SSTR5 P35346 1/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RBP4 P02753 1/20 0.36
TTR P02766 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
SCHEMBL9103325 0.95 CCNT1 (0.44) EPHX2CDK9CCNT1HSD17B10MEN1
SCHEMBL9105113 0.93 CDK9 (0.41) CDK9CCNT1HSD17B10CASP3CASP7
SCHEMBL9106816 0.92 CDK9 (0.47) CDK9CCNT1HSD17B10CASP3CASP7
SCHEMBL9106167 0.91 EPHX2 (0.42) EPHX2CDK9CCNT1HSD17B10KMT2A
SCHEMBL9105828 0.90 CDK9 (0.40) EPHX2CDK9CCNT1HSD17B10CASP3
SCHEMBL9104751 0.90 CDK9 (0.40) EPHX2CDK9CCNT1HSD17B10CASP3
SCHEMBL9104942 0.90 CDK9 (0.39) EPHX2CDK9CCNT1HSD17B10CASP3
SCHEMBL9897496 0.89 EPHX2 (0.40) EPHX2CDK9CCNT1HSD17B10NPY5R
SCHEMBL9105958 0.89 CDK9 (0.41) CDK9CCNT1CASP3CASP7KDM5A
SCHEMBL9105965 0.89 CDK9 (0.41) CDK9CCNT1CASP3CASP7KDM5A

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 EPHX2 1350/4885CDK9 1048/4885CCNT1 1888/4885

“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.