SCHEMBL3477067

SCHEMBL3477067

N#Cc1cccc(-n2cccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.53
DRD3 P35462 2/20 0.53
GRM5 P41594 3/20 0.51
MAPT P10636 2/20 0.50
NSD2 O96028 1/20 0.46
ALDH1A1 P00352 1/20 0.45
NOTUM Q6P988 3/20 0.44
ALOX5 P09917 1/20 0.44
ENPP2 Q13822 1/20 0.42

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
SCHEMBL3832736 0.78 IDO1 (0.58) GRM5ALDH1A1
SCHEMBL1433490 0.78 GRM5 (0.55) DRD2DRD3GRM5MAPTNSD2
SCHEMBL31420979 0.78 IDO1 (0.58) GRM5ALDH1A1
SCHEMBL20319187 0.77 MAPT (0.68) MAPTNSD2ALDH1A1
SCHEMBL2236983 0.76 TSHR (0.46) MAPTNSD2ALDH1A1
SCHEMBL15800697 0.75 DRD2 (0.79) DRD2DRD3NSD2NOTUMALOX5
SCHEMBL9289 0.74 TSHR (0.61) DRD2DRD3GRM5MAPTALDH1A1
Water SCHEMBL28137572 0.74 TSHR (0.61) DRD2DRD3GRM5MAPTALDH1A1
SCHEMBL2817154 0.74 TSHR (0.61) DRD2DRD3GRM5MAPTALDH1A1
SCHEMBL17883187 0.73 DRD2 (0.51) DRD2DRD3GRM5MAPTNSD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110313158-A1 Two Component Recyclable Heterogeneous Catalyst, Process for Preparation Thereof and its Use for Preparation of Amines COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2011-12-22 US claimed
WO-2010097815-A2 A TWO COMPONENT RECYCLABLE HETEROGENEOUS CATALYST, PROCESS FOR PREPARATION THEREOF AND ITS USE FOR PREPARATION OF AMINES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-09-02 WO claimed
US-20110313158-A1 Two Component Recyclable Heterogeneous Catalyst, Process for Preparation Thereof and its Use for Preparation of Amines COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2011-12-22 US disclosed
WO-2010097815-A2 A TWO COMPONENT RECYCLABLE HETEROGENEOUS CATALYST, PROCESS FOR PREPARATION THEREOF AND ITS USE FOR PREPARATION OF AMINES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-09-02 WO disclosed
EP-1037886-B1 TRIAZINE ANGIOGENESIS INHIBITORS ABBOTT LAB (US) 2003-05-02 EP disclosed
US-6548512-B1 Pyrazole derivatives such as 1-(3-amidinophenyl)-3-methyl-2-((5-(2'-aminosulfonylphenyl-1-yl)pyrimidin-2 -yl)aminocarbonyl)pyrazole; treating thromboembolic disorders BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-15 US disclosed
US-6288228-B1 DIAMINOTRIAZINE DERIVATIVES ABBOTT LABORATORIES 2001-09-11 US disclosed
CN-1290264-A Triazine angiogenesis inhibitors ABBOTT LAB (US) 2001-04-04 CN disclosed
US-6150362-A ADMINISTERING 1,3,5-SUBSTITUTED TRIAZINE COMPOUNDS TO THE PATIENT SUFFERING FROM ANGIOGENIC DISEASES ABBVIE INC. 2000-11-21 US disclosed
CN-1246847-A Nitrogen containing heteroaromatics as factor Xa inhibitors DU PONT MERCK PHARMA (US) 2000-03-08 CN disclosed
US-6020357-A CARDIOVASCULAR DISORDERS; ANTCOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 2000-02-01 US disclosed
EP-0946508-A1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS Du Pont Pharmaceuticals Company (US) 1999-10-06 EP disclosed
WO-1998028269-A1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1998-07-02 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-20110313158-A1 Two Component Recyclable Heterogeneous Catalyst, Process for Preparation Thereof and its Use for Preparation of Amines HCN2, RAC2, HCN1 DRD2 624/4885DRD3 1076/4885GRM5 3931/4885

“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.