SCHEMBL9102581

SCHEMBL9102581

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
RIPK2 O43353 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PBK Q96KB5 2/20 0.35
CCNT1 O60563 4/20 0.34
CDK9 P50750 4/20 0.34
PRKACA P17612 1/20 0.34
PRKACG P22612 1/20 0.34
PRKACB P22694 1/20 0.34
KDM4A O75164 2/20 0.34
KDM5A P29375 2/20 0.34
AR P10275 2/20 0.33
RBP4 P02753 1/20 0.33
TTR P02766 1/20 0.33
SYK P43405 1/20 0.33
CYP2C9 P11712 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
SCHEMBL9102558 1.00 KDM2B (0.42) KDM2BKDM4CLMNAHPGDRIPK2
SCHEMBL9106860 1.00 KDM2B (0.42) KDM2BKDM4CLMNAHPGDRIPK2
SCHEMBL9106359 0.94 KDM2B (0.40) KDM2BKDM4CLMNAHPGDRIPK2
SCHEMBL9104949 0.94 KDM2B (0.40) KDM2BKDM4CLMNAHPGDRIPK2
SCHEMBL9104941 0.94 KDM2B (0.40) KDM2BKDM4CLMNAHPGDRIPK2
SCHEMBL9101442 0.93 KDM2B (0.39) KDM2BKDM4CLMNAHPGDRIPK2
SCHEMBL9107809 0.93 KDM2B (0.39) KDM2BKDM4CLMNAHPGDRIPK2
SCHEMBL9104459 0.93 KDM2B (0.39) KDM2BKDM4CLMNAHPGDRIPK2
SCHEMBL9106270 0.93 KDM2B (0.39) KDM2BKDM4CLMNAHPGDRIPK2
Hydrochloric Acid SCHEMBL9104654 0.93 SMYD3 (0.41) 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 134/4885LMNA 3122/4885

“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.