SCHEMBL9106078

SCHEMBL9106078

Cc1[nH]c2c(-c3ccc(F)cc3OCC3CC3)ccnc2c1C(=O)NC1CCC(NC(=O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 8/20 0.43
CASP3 P42574 2/20 0.43
CASP7 P55210 2/20 0.43
CDK1 P06493 1/20 0.43
CDK2 P24941 1/20 0.43
KDM5A P29375 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
CCNT1 O60563 5/20 0.39
AR P10275 8/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
RIPK2 O43353 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
SCHEMBL9107702 1.00 CDK9 (0.43) CDK9CASP3CASP7CDK1CDK2
SCHEMBL9106061 1.00 CDK9 (0.43) CDK9CASP3CASP7CDK1CDK2
SCHEMBL9106366 0.94 CDK9 (0.50) CDK9CASP3CASP7CDK1CDK2
SCHEMBL9104359 0.94 CDK9 (0.44) CDK9CASP3CASP7CDK1CDK2
SCHEMBL9104336 0.94 CDK9 (0.44) CDK9CASP3CASP7CDK1CDK2
SCHEMBL9108126 0.94 CDK9 (0.44) CDK9CASP3CASP7CDK1CDK2
SCHEMBL9108141 0.94 CDK9 (0.50) CDK9CASP3CASP7CDK1CDK2
SCHEMBL9106363 0.94 CDK9 (0.50) CDK9CASP3CASP7CDK1CDK2
SCHEMBL1437838 0.93 CDK9 (0.42) CDK9CASP3CASP7CDK1CDK2
SCHEMBL1437837 0.93 CDK9 (0.42) CDK9CASP3CASP7CDK1CDK2

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.