SCHEMBL9102587

SCHEMBL9102587

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
KMT2A Q03164 4/20 0.36
HPGDS O60760 2/20 0.36
ROCK2 O75116 1/20 0.35
MELK Q14680 1/20 0.35
MEN1 O00255 2/20 0.35
KDM5A P29375 1/20 0.35
SLC2A1 P11166 3/20 0.35
CCNE1 P24864 3/20 0.35
CDK2 P24941 3/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PAK1 Q13153 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA2 P47869 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
SCHEMBL9107545 0.94 NOS3 (0.36) L3MBTL1NOS3NOS1NOS2KMT2A
SCHEMBL9101757 0.91 HPGDS (0.44) L3MBTL1NOS3NOS1NOS2KMT2A
SCHEMBL9106837 0.91 KMT2A (0.39) L3MBTL1NOS3NOS1NOS2KMT2A
SCHEMBL1442627 0.91 CCNT1 (0.40) KMT2AMEN1HSD17B10
SCHEMBL1437819 0.91 CCNT1 (0.40) KMT2AMEN1HSD17B10
SCHEMBL1437591 0.90 EPHX2 (0.42) L3MBTL1NOS3NOS1NOS2KMT2A
SCHEMBL9106219 0.90 CCNT1 (0.42) L3MBTL1NOS3NOS1NOS2KMT2A
SCHEMBL9106867 0.90 GABRG2 (0.37) KMT2AHPGDSROCK2MELKGABRG2
SCHEMBL9106861 0.90 GABRG2 (0.37) KMT2AHPGDSROCK2MELKGABRG2
SCHEMBL9897904 0.89 KMT2A (0.38) L3MBTL1NOS3NOS1NOS2KMT2A

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 L3MBTL1 2949/4885NOS3 306/4885NOS1 866/4885

“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.