SCHEMBL9106837

SCHEMBL9106837

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
NOS3 P29474 2/20 0.38
NOS1 P29475 2/20 0.38
NOS2 P35228 2/20 0.38
HPGDS O60760 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA2 P47869 2/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 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
SCHEMBL9107048 0.94 NOS3 (0.38) KMT2ANOS3NOS1NOS2HPGDS
SCHEMBL9101757 0.94 HPGDS (0.44) KMT2ANOS3NOS1NOS2HPGDS
SCHEMBL9106219 0.93 CCNT1 (0.42) KMT2ANOS3NOS1NOS2HPGDS
SCHEMBL1437591 0.93 EPHX2 (0.42) KMT2ANOS3NOS1NOS2HPGDS
SCHEMBL1437472 0.92 CCNT1 (0.38) KMT2ANOS3NOS1NOS2HPGDS
SCHEMBL9103522 0.92 KDM2B (0.41) KMT2ANOS3NOS1NOS2L3MBTL1
SCHEMBL9106031 0.91 GABRG2 (0.40) KMT2AHPGDSGABRG2GABRB3GABRA2
SCHEMBL9106041 0.91 GABRG2 (0.40) KMT2AHPGDSGABRG2GABRB3GABRA2
SCHEMBL9107057 0.91 GABRG2 (0.40) KMT2AHPGDSGABRG2GABRB3GABRA2
SCHEMBL9102587 0.91 L3MBTL1 (0.36) KMT2ANOS3NOS1NOS2HPGDS

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 KMT2A 1463/4885NOS3 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.