SCHEMBL9103522

SCHEMBL9103522

Cc1ccc(OCC2CC2)c(-c2ccnc3c(C(=O)NC4CCN(C(=O)O)CC4)c(C)[nH]c23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
LMNA P02545 3/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CCNT1 O60563 6/20 0.34
CDK9 P50750 6/20 0.34
HSD17B10 Q99714 2/20 0.34
CTDSP1 Q9GZU7 2/20 0.34
GLA P06280 1/20 0.34
PAK1 Q13153 1/20 0.33
HPGD P15428 1/20 0.33
RIPK2 O43353 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL9107708 0.94 KDM2B (0.39) KDM2BKDM4CLMNAPOLBMAPK1
SCHEMBL9106705 0.92 CCNT1 (0.40) KDM2BKDM4CLMNAPOLBMAPK1
SCHEMBL9103993 0.92 CCNT1 (0.42) MEN1KMT2ACCNT1CDK9HSD17B10
SCHEMBL9107573 0.92 EPHX2 (0.39) KDM2BKDM4CLMNAPOLBMAPK1
SCHEMBL9106837 0.92 KMT2A (0.39) LMNAL3MBTL1NOS3NOS1NOS2
SCHEMBL9102558 0.91 KDM2B (0.42) KDM2BKDM4CLMNACCNT1CDK9
SCHEMBL9102581 0.91 KDM2B (0.42) KDM2BKDM4CLMNACCNT1CDK9
SCHEMBL9106860 0.91 KDM2B (0.42) KDM2BKDM4CLMNACCNT1CDK9
SCHEMBL9101701 0.91 KDM2B (0.38) KDM2BKDM4CLMNAPOLBMAPK1
SCHEMBL9101711 0.90 PARP1 (0.42) LMNAPOLBMAPK1L3MBTL1MEN1

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.