SCHEMBL9107509

SCHEMBL9107509

Cc1ccc(OCC2CC2)c(-c2ccnc3c(C(=O)NC4CCC(NC(=O)[C@H](C)O)CC4)c(C)[nH]c23)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KMT2A Q03164 1/20 0.34
CNR2 P34972 5/20 0.34
ACACB O00763 2/20 0.34
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
TLR8 Q9NR97 2/20 0.33
TLR7 Q9NYK1 2/20 0.33
TLR9 Q9NR96 1/20 0.33
RIPK2 O43353 1/20 0.33
PDE4D Q08499 3/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PBK Q96KB5 2/20 0.33
PRKACA P17612 1/20 0.32
PRKACG P22612 1/20 0.32
PRKACB P22694 1/20 0.32

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
SCHEMBL9108084 1.00 KDM2B (0.38) KDM2BKDM4CKMT2ACNR2ACACB
SCHEMBL9107506 1.00 KDM2B (0.38) KDM2BKDM4CKMT2ACNR2ACACB
SCHEMBL9102696 0.92 CDK9 (0.40)
SCHEMBL9102686 0.92 CDK9 (0.40)
SCHEMBL9106861 0.92 GABRG2 (0.37) KMT2AACACBTLR8TLR7TLR9
SCHEMBL9106867 0.92 GABRG2 (0.37) KMT2AACACBTLR8TLR7TLR9
SCHEMBL9102581 0.91 KDM2B (0.42) KDM2BKDM4CLMNAHPGDRIPK2
SCHEMBL9106860 0.91 KDM2B (0.42) KDM2BKDM4CLMNAHPGDRIPK2
SCHEMBL9102558 0.91 KDM2B (0.42) KDM2BKDM4CLMNAHPGDRIPK2
SCHEMBL9106359 0.90 KDM2B (0.40) KDM2BKDM4CLMNAHPGDRIPK2

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 KDM2B 274/4885KDM4C 134/4885KMT2A 1463/4885

“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.