SCHEMBL1768883

SCHEMBL1768883

O=Cc1cc2c(NC(=O)c3ccccc3)nccc2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.46
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
ADORA3 P0DMS8 5/20 0.43
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 1/20 0.39
KCNK3 O14649 2/20 0.39
KCNK9 Q9NPC2 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
JAK2 O60674 1/20 0.38
TYK2 P29597 1/20 0.38
ATM Q13315 1/20 0.38
MAPT P10636 1/20 0.38

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 0.81 MET (0.42) METNPC1RAB9AADORA3ALDH1A1
SCHEMBL1768972 0.81 MET (0.42) METNPC1RAB9AADORA3ALDH1A1
SCHEMBL6461074 0.80 MET (0.46) METNPC1RAB9AADORA3ALDH1A1
SCHEMBL1768997 0.76 NPC1 (0.49) NPC1RAB9AADORA3SMN1; SMN2HTT
SCHEMBL6435745 0.74 ADORA3 (0.47) NPC1RAB9AADORA3HTTABCG2
SCHEMBL6435371 0.73 ADORA3 (0.52) NPC1RAB9AADORA3HTTABCG2
SCHEMBL6460778 0.72 NPC1 (0.43) NPC1RAB9AADORA3ALDH1A1SMN1; SMN2
SCHEMBL5874038 0.71 ADORA3 (0.62) NPC1RAB9AADORA3HTTABCG2
SCHEMBL1768941 0.71 ALDH1A1 (0.45) METNPC1RAB9AADORA3ALDH1A1
SCHEMBL1769014 0.71 MET (0.41) METNPC1RAB9AADORA3ALDH1A1

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 9 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
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
US-20130131055-A1 FUROPYRIDINYL-SUBSTITUTED 1,4-DIHYDROPYRIDINE DERIVATIVES AND METHODS OF USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-23 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
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.