SCHEMBL9104941

SCHEMBL9104941

CC(=O)N[C@H]1CC[C@@H](NC(=O)c2c(C)[nH]c3c(-c4cc(C)ccc4OCC4CC4)ccnc23)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
CDK9 P50750 4/20 0.38
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38
CDK1 P06493 1/20 0.38
CDK2 P24941 1/20 0.38
LRRK2 Q5S007 4/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
RIPK2 O43353 1/20 0.34
PBK Q96KB5 2/20 0.34
RBP4 P02753 1/20 0.34
TTR P02766 1/20 0.34
PRKACA P17612 1/20 0.34
PRKACG P22612 1/20 0.34
PRKACB P22694 1/20 0.34
AR P10275 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
SCHEMBL9106359 1.00 KDM2B (0.40) KDM2BKDM4CCYP4F2CYP4A11CDK9
SCHEMBL9104949 1.00 KDM2B (0.40) KDM2BKDM4CCYP4F2CYP4A11CDK9
SCHEMBL9102558 0.94 KDM2B (0.42) KDM2BKDM4CCDK9LMNAHPGD
SCHEMBL9102581 0.94 KDM2B (0.42) KDM2BKDM4CCDK9LMNAHPGD
SCHEMBL9106860 0.94 KDM2B (0.42) KDM2BKDM4CCDK9LMNAHPGD
Hydrochloric Acid SCHEMBL9104654 0.92 SMYD3 (0.41) KDM2BKDM4CLMNAHPGDRIPK2
SCHEMBL9104176 0.92 CDK9 (0.46) CYP4F2CYP4A11CDK9CASP3CASP7
SCHEMBL9107809 0.92 KDM2B (0.39) KDM2BKDM4CCDK9LMNAHPGD
SCHEMBL9106270 0.92 KDM2B (0.39) KDM2BKDM4CCDK9LMNAHPGD
SCHEMBL9101442 0.92 KDM2B (0.39) KDM2BKDM4CCDK9LMNAHPGD

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 134/4885CYP4F2 708/4885

“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.