SCHEMBL9107573

SCHEMBL9107573

CCC(=O)N1CCC(NC(=O)c2c(C)[nH]c3c(-c4cc(C)ccc4OCC4CC4)ccnc23)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.39
KDM2B Q8NHM5 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
CCNT1 O60563 3/20 0.36
CDK9 P50750 3/20 0.36
BTK Q06187 1/20 0.35
GLA P06280 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34

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
SCHEMBL9106705 0.94 CCNT1 (0.40) KDM2BKDM4CLMNAPOLBMAPK1
SCHEMBL9103325 0.92 CCNT1 (0.44) EPHX2CCNT1CDK9HSD17B10
SCHEMBL9101701 0.92 KDM2B (0.38) KDM2BKDM4CLMNAPOLBMAPK1
SCHEMBL9107708 0.92 KDM2B (0.39) KDM2BKDM4CLMNAPOLBMAPK1
SCHEMBL9103522 0.92 KDM2B (0.41) KDM2BKDM4CLMNAPOLBMAPK1
SCHEMBL1437591 0.92 EPHX2 (0.42) EPHX2LMNAPOLBMAPK1L3MBTL1
SCHEMBL9897192 0.89 EPHX2 (0.39) EPHX2KDM2BKDM4CLMNAPOLB
SCHEMBL9104459 0.89 KDM2B (0.39) KDM2BKDM4CLMNACCNT1CDK9
SCHEMBL9107809 0.89 KDM2B (0.39) KDM2BKDM4CLMNACCNT1CDK9
SCHEMBL9104467 0.89 KDM2B (0.39) KDM2BKDM4CLMNACCNT1CDK9

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 EPHX2 1350/4885KDM2B 274/4885KDM4C 134/4885

“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.