SCHEMBL9106659

SCHEMBL9106659

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 2/20 0.36
CDK9 P50750 10/20 0.36
CCNT1 O60563 9/20 0.36
EPHX2 P34913 3/20 0.35
MCHR1 Q99705 1/20 0.35
CASP3 P42574 1/20 0.34
CASP7 P55210 1/20 0.34
SLC2A1 P11166 1/20 0.34
DYRK1A Q13627 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33

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
SCHEMBL9108098 0.97 KDM5A (0.36) KDM5ACDK9CCNT1EPHX2MCHR1
SCHEMBL9101641 0.92 CDK9 (0.38) KDM5ACDK9CCNT1CASP3CASP7
SCHEMBL9106308 0.92 CDK9 (0.42) CDK9CCNT1CASP3CASP7
SCHEMBL9105945 0.90 CDK9 (0.44) CDK9CCNT1CASP3CASP7
SCHEMBL9104751 0.90 CDK9 (0.40) CDK9CCNT1EPHX2CASP3CASP7
SCHEMBL9106625 0.90 CDK9 (0.36) CDK9CCNT1CASP3CASP7
SCHEMBL9106630 0.90 CDK9 (0.36) CDK9CCNT1CASP3CASP7
SCHEMBL9104942 0.90 CDK9 (0.39) KDM5ACDK9CCNT1EPHX2CASP3
SCHEMBL9104252 0.90 CDK9 (0.40) KDM5ACDK9CCNT1CASP3CASP7
SCHEMBL1442627 0.89 CCNT1 (0.40) CDK9CCNT1

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 KDM5A 65/4885CDK9 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.