SCHEMBL9100207

SCHEMBL9100207

COc1cc(-c2ccnc3c(C(=O)NC4CCN(C(C)=O)CC4)c(C)[nH]c23)c(OCC2CC2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 15/20 0.42
CCNT1 O60563 11/20 0.42
CASP3 P42574 3/20 0.42
CASP7 P55210 3/20 0.42
HPGDS O60760 1/20 0.36
CD38 P28907 1/20 0.36
CDK1 P06493 1/20 0.35
CDK2 P24941 1/20 0.35
SIK1 P57059 1/20 0.35
SIK2 Q9H0K1 1/20 0.35
SIK3 Q9Y2K2 1/20 0.35

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
SCHEMBL9106308 0.97 CDK9 (0.42) CDK9CCNT1CASP3CASP7HPGDS
SCHEMBL9107064 0.94 CDK9 (0.38) CDK9CCNT1CASP3CASP7
SCHEMBL9105828 0.93 CDK9 (0.40) CDK9CCNT1CASP3CASP7
SCHEMBL9108991 0.93 CDK9 (0.44) CDK9CCNT1CASP3CASP7
SCHEMBL9106930 0.92 CDK9 (0.40) CDK9CCNT1CASP3CASP7
SCHEMBL9108098 0.92 KDM5A (0.36) CDK9CCNT1CASP3CASP7
SCHEMBL9101641 0.91 CDK9 (0.38) CDK9CCNT1CASP3CASP7
SCHEMBL9105238 0.91 CDK9 (0.44) CDK9CCNT1CASP3CASP7CDK1
SCHEMBL9101976 0.91 CDK9 (0.44) CDK9CCNT1CASP3CASP7CDK1
SCHEMBL9101963 0.91 CDK9 (0.44) CDK9CCNT1CASP3CASP7CDK1

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.