SCHEMBL9104942

SCHEMBL9104942

Cc1[nH]c2c(-c3ccc(F)cc3OCC3CC3)ccnc2c1C(=O)NC1CCN(C(=O)[C@H](C)O)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 10/20 0.39
CASP3 P42574 3/20 0.39
CASP7 P55210 3/20 0.39
HSD17B10 Q99714 1/20 0.37
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
CDK1 P06493 1/20 0.37
CDK2 P24941 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CCNT1 O60563 6/20 0.36
IDO1 P14902 1/20 0.35
SSTR5 P35346 1/20 0.34
ROCK2 O75116 1/20 0.34
CYP3A4 P08684 1/20 0.34
ACKR3 P25106 1/20 0.34
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34
AR P10275 1/20 0.34
EPHX2 P34913 1/20 0.34

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
SCHEMBL1437819 0.95 CCNT1 (0.40) CDK9HSD17B10MEN1KMT2ACCNT1
SCHEMBL1442627 0.95 CCNT1 (0.40) CDK9HSD17B10MEN1KMT2ACCNT1
SCHEMBL9107545 0.91 NOS3 (0.36) CDK9HSD17B10KDM5ACDK2KMT2A
SCHEMBL9106816 0.91 CDK9 (0.47) CDK9CASP3CASP7HSD17B10KDM5A
SCHEMBL9108098 0.90 KDM5A (0.36) CDK9CASP3CASP7KDM5ACCNT1
SCHEMBL9106659 0.90 KDM5A (0.36) CDK9CASP3CASP7KDM5ACCNT1
SCHEMBL9108829 0.90 EPHX2 (0.40) CDK9CASP3CASP7HSD17B10KDM5A
SCHEMBL9106102 0.89 CDK9 (0.41) CDK9CASP3CASP7KDM5AKDM4C
SCHEMBL9107667 0.89 CDK9 (0.41) CDK9CASP3CASP7KDM5AKDM4C
SCHEMBL9106095 0.89 CDK9 (0.41) CDK9CASP3CASP7KDM5AKDM4C

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 1048/4885CASP3 966/4885CASP7 2312/4885

“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.