SCHEMBL9101757

SCHEMBL9101757

COc1ccc(OCC2CC2)c(-c2ccnc3c(C(=O)NC4CCN(C(C)=O)CC4)c(C)[nH]c23)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.44
CDK9 P50750 4/20 0.40
CCNT1 O60563 3/20 0.40
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
KMT2A Q03164 3/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
PDK1 Q15118 1/20 0.37
CD38 P28907 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CHEK2 O96017 1/20 0.36
HSD17B10 Q99714 2/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 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
SCHEMBL9101891 0.94 HPGDS (0.44) HPGDSCDK9CCNT1CASP3CASP7
SCHEMBL9106837 0.94 KMT2A (0.39) HPGDSCDK9CCNT1NOS3NOS1
SCHEMBL1437591 0.93 EPHX2 (0.42) HPGDSCDK9CCNT1NOS3NOS1
SCHEMBL9106219 0.93 CCNT1 (0.42) HPGDSCDK9CCNT1NOS3NOS1
SCHEMBL1437472 0.92 CCNT1 (0.38) HPGDSCDK9CCNT1NOS3NOS1
SCHEMBL9107708 0.92 KDM2B (0.39) HPGDSCDK9CCNT1CASP3CASP7
SCHEMBL9102587 0.91 L3MBTL1 (0.36) HPGDSNOS3NOS1NOS2KMT2A
SCHEMBL9107686 0.91 CYP4F2 (0.41) HPGDSCDK9CCNT1CASP3CASP7
SCHEMBL1437626 0.91 CYP4F2 (0.41) HPGDSCDK9CCNT1CASP3CASP7
SCHEMBL1437625 0.91 CYP4F2 (0.41) HPGDSCDK9CCNT1CASP3CASP7

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 HPGDS 1279/4885CDK9 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.