SCHEMBL9104467

SCHEMBL9104467

CCC(=O)NC1CCC(NC(=O)c2c(C)[nH]c3c(-c4cc(C)ccc4OCC4CC4)ccnc23)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
RIPK2 O43353 1/20 0.34
PBK Q96KB5 2/20 0.33
SMYD3 Q9H7B4 1/20 0.33
PRKACA P17612 1/20 0.33
PRKACG P22612 1/20 0.33
PRKACB P22694 1/20 0.33
MAPT P10636 1/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33
DRD2 P14416 2/20 0.33
HTR2A P28223 2/20 0.33
DRD3 P35462 2/20 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
SCHEMBL9107809 1.00 KDM2B (0.39) KDM2BKDM4CLMNAHPGDNPC1
SCHEMBL9104459 1.00 KDM2B (0.39) KDM2BKDM4CLMNAHPGDNPC1
SCHEMBL9101442 0.93 KDM2B (0.39) KDM2BKDM4CLMNAHPGDNPC1
SCHEMBL9106270 0.93 KDM2B (0.39) KDM2BKDM4CLMNAHPGDNPC1
SCHEMBL9101439 0.93 KDM2B (0.39) KDM2BKDM4CLMNAHPGDNPC1
SCHEMBL9106860 0.93 KDM2B (0.42) KDM2BKDM4CLMNAHPGDNPC1
SCHEMBL9102558 0.93 KDM2B (0.42) KDM2BKDM4CLMNAHPGDNPC1
SCHEMBL9102581 0.93 KDM2B (0.42) KDM2BKDM4CLMNAHPGDNPC1
SCHEMBL9101876 0.92 HPGD (0.41) KDM2BKDM4CLMNAHPGDNPC1
SCHEMBL9108928 0.92 HPGD (0.41) KDM2BKDM4CLMNAHPGDNPC1

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.