SCHEMBL1768997

SCHEMBL1768997

O=C(Nc1nccc2occc12)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
ADORA3 P0DMS8 5/20 0.46
HTT P42858 2/20 0.44
JAK2 O60674 1/20 0.44
TYK2 P29597 1/20 0.44
AURKA O14965 1/20 0.44
TP53 P04637 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
FADS1 O60427 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.43
ATM Q13315 1/20 0.43
TMIGD3 P0DMS9 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL5874038 0.77 ADORA3 (0.62) NPC1RAB9AADORA3HTTABCG2
SCHEMBL24127047 0.76 PTPN1 (0.54) NPC1RAB9AHTTSMN1; SMN2
SCHEMBL6461074 0.76 MET (0.46) NPC1RAB9AADORA3HTTJAK2
SCHEMBL30572860 0.76 PTPN1 (0.54) NPC1RAB9AHTTSMN1; SMN2
SCHEMBL1768883 0.76 MET (0.46) NPC1RAB9AADORA3HTTJAK2
SCHEMBL6456481 0.72 NPC1 (0.56) NPC1RAB9AADORA3HTTJAK2
SCHEMBL6436826 0.71 ADORA3 (0.49) NPC1RAB9AADORA3TP53ABCG2
SCHEMBL6434738 0.71 ADORA3 (0.55) NPC1RAB9AADORA3ABCG2ATM
SCHEMBL1206235 0.71 ADORA3 (0.55) NPC1RAB9AADORA3TP53ABCG2
SCHEMBL26087027 0.71 RAB9A (0.60) NPC1RAB9ATP53SMN1; SMN2KMT2A

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 16 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
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
EP-1505062-A1 Heterocyclic derivatives and their use as antithrombotic agents Akzo Nobel N.V. (NL) 2005-02-09 EP disclosed
US-6797710-B2 CARDIOVASCULAR DISORDERS; SERINE PROTEASE INHIBITOR; ADMINISTERING BY MOUTH; BIOAVAILABILITY AKZO NOBEL N.V. (NL) 2004-09-28 US disclosed
US-20030130270-A1 Heterocyclic derivatives and their use as antithrombotic agents MERCK SHARP & DOHME B.V. (NL) 2003-07-10 US disclosed
US-6444672-B1 ORAL BIOVAILABILITY; INHIBITORS OF THROMBIN AND/OR FACTOR XA; SERINE PROTEASE INHIBITOR AKZO NOBEL N.V. (NL) 2002-09-03 US disclosed
US-6432955-B1 ANTICOAGULANTS AKZO NOBEL N.V. (NL) 2002-08-13 US disclosed
US-6194409-B1 SERINE PROTEASE INHIBITOR; BIOAVAILABILITY WHEN ADMINISTERED BY MOUTH AKZO NOBEL N.V. (NL) 2001-02-27 US disclosed
EP-0975600-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS Akzo Nobel N.V. (NL) 2000-02-02 EP disclosed
WO-1998047876-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS AKZO NOBEL N.V. (NL) 1998-10-29 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 (2 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 NPC1 3871/4885RAB9A 2633/4885ADORA3 3697/4885
US-20030130270-A1 Heterocyclic derivatives and their use as antithrombotic agents F2, F12, VKORC1 NPC1 2231/4885RAB9A 2664/4885ADORA3 178/4885

“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.