SCHEMBL1769080

SCHEMBL1769080

CC(=O)/C(C#N)=C\c1cc2c(NC(=O)c3ccccc3)nccc2o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.42
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ADORA3 P0DMS8 2/20 0.36
ALDH1A1 P00352 5/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HTT P42858 2/20 0.35
POLB P06746 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HPGD P15428 2/20 0.35
BLM P54132 1/20 0.35
RUNX1 Q01196 1/20 0.35
CBFB Q13951 1/20 0.35
SIRT5 Q9NXA8 1/20 0.35
KDM4E B2RXH2 3/20 0.35
GLA P06280 1/20 0.35
LMNA P02545 2/20 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
SCHEMBL12649894 1.00 MET (0.42) METNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL1768972 1.00 MET (0.42) METNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL1768883 0.81 MET (0.46) METNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL1769014 0.73 MET (0.41) METNPC1RAB9ASMN1; SMN2ADORA3
SCHEMBL6461074 0.72 MET (0.46) METNPC1RAB9ASMN1; SMN2ADORA3
SCHEMBL1768941 0.71 ALDH1A1 (0.45) METNPC1RAB9ASMN1; SMN2ADORA3
SCHEMBL12649850 0.70 MET (0.49) METNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL1769206 0.69 MET (0.49) METNPC1RAB9AADORA3ALDH1A1
SCHEMBL1768997 0.68 NPC1 (0.49) NPC1RAB9AMAPTSMN1; SMN2ADORA3
SCHEMBL1769186 0.67 ALDH1A1 (0.40) METNPC1RAB9AMAPTSMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2501700-B1 Furopyridinyl-substituted 1,4-dihydropyridine derivatives and methods of use thereof BAYER IP GMBH (DE) 2014-01-15 EP disclosed
US-8604028-B2 Furopyridinyl-substituted 1,4-dihydropyridine derivatives and methods of use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-12-10 US disclosed
US-20130131055-A1 FUROPYRIDINYL-SUBSTITUTED 1,4-DIHYDROPYRIDINE DERIVATIVES AND METHODS OF USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-23 US disclosed
EP-2501700-A1 FUROPYRIDINYL-SUBSTITUTED 1,4-DIHYDROPYRIDINE DERIVATIVES AND METHODS OF USE THEREOF Bayer Intellectual Property GmbH (DE) 2012-09-26 EP disclosed
WO-2011061157-A1 FUROPYRIDINYL-SUBSTITUTED 1,4-DIHYDROPYRIDINE DERIVATIVES AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-26 WO 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-20130131055-A1 FUROPYRIDINYL-SUBSTITUTED 1,4-DIHYDROPYRIDINE DERIVATIVES AND METHODS OF USE THEREOF MET, RET, ERBB4 MET 1/4885NPC1 3871/4885RAB9A 2633/4885

“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.