SCHEMBL3825009

SCHEMBL3825009

c1ccc(-c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.56
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
NLRP3 Q96P20 1/20 0.44
SIRT2 Q8IXJ6 6/20 0.39
FLT3 P36888 2/20 0.38
PLK4 O00444 1/20 0.38
JAK2 O60674 1/20 0.38
RET P07949 1/20 0.38
PIM1 P11309 1/20 0.38
FGFR1 P11362 1/20 0.38
FLT1 P17948 1/20 0.38
KDR P35968 1/20 0.38
PIM3 Q86V86 1/20 0.38
ALK Q9UM73 1/20 0.38
HPGDS O60760 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36

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
SCHEMBL13514515 0.89 ENPP2 (0.50) ENPP2CYP11B1CYP11B2NPC1RAB9A
SCHEMBL2312155 0.87 ENPP2 (0.58) ENPP2CYP11B1CYP11B2NPC1RAB9A
SCHEMBL3065782 0.86 ENPP2 (0.48) ENPP2CYP11B1CYP11B2SIRT2CYP3A4
SCHEMBL1978831 0.86 ENPP2 (0.48) ENPP2CYP11B1CYP11B2NPC1RAB9A
SCHEMBL17688341 0.86 CYP2A6 (0.55) ENPP2CYP11B1CYP11B2NPC1RAB9A
SCHEMBL4872173 0.85 ENPP2 (0.56) ENPP2CYP11B1CYP11B2RAB9ASIRT2
SCHEMBL14496825 0.85 ENPP2 (0.47) ENPP2NPC1RAB9AKDM4EALDH1A1
SCHEMBL4172719 0.84 ENPP2 (0.58) ENPP2CYP11B1CYP11B2NPC1RAB9A
SCHEMBL4612796 0.82 ENPP2 (0.46) ENPP2CYP3A4CYP2C19ALDH1A1
SCHEMBL18618168 0.82 FYN (0.47) ENPP2SIRT2HPGDSCYP2C9

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3318561-B1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2021-12-22 EP disclosed
US-10562916-B2 Substituted quinoxalines as PDE-10 inhibitors SUNOVION PHARMACEUTICALS, INC. (US) 2020-02-18 US disclosed
EP-2576540-B1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2019-09-04 EP disclosed
EP-3318561-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2018-05-09 EP disclosed
US-20180037590-A1 SUBSTITUTED QUINOLINES AS PDE-10 INHIBITORS SUNOVION PHARMACEUTICALS INC. 2018-02-08 US disclosed
US-9834564-B2 Substituted quinolines as PDE-10 inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2017-12-05 US disclosed
CN-103038229-B Heteroaryl compounds and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2016-05-11 CN disclosed
US-20150166571-A1 Heteroaryl Compounds and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. 2015-06-18 US disclosed
US-8969349-B2 Substituted quinoxalines and quinoxalinones as PDE-10 inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2015-03-03 US disclosed
US-20130158003-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2013-06-20 US disclosed
EP-1828152-B1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FACTOR VIIA BRISTOL MYERS SQUIBB CO (US) 2008-08-20 EP disclosed
EP-1828152-A2 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FACTOR VIIA Bristol-Myers Squibb Company (US) 2007-09-05 EP disclosed
US-20060211720-A1 Heterocyclic compounds as inhibitors of factor VIIa BRISTOL-MYERS SQUIBB COMPANY 2006-09-21 US disclosed
WO-2006062972-A2 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FACTOR VIIA BRISTOL-MYERS SQUIBB COMPANY (US) 2006-06-15 WO disclosed
EP-1597256-A1 N-HETEROCYCLYL-SUBSTITUTED AMINO-THIAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS PFIZER INC. (US) 2005-11-23 EP disclosed
US-20050101595-A1 N-containing cycloalkyl-substituted amino-thiazole derivatives and pharmaceutical compositions for inhibiting cell proliferation and methods for their use PFIZER INC. 2005-05-12 US disclosed
WO-2004074283-A1 N-HETEROCYCLYL-SUBSTITUTED AMINO-THIAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS PFIZER INC. (US) 2004-09-02 WO disclosed
EP-0967207-B1 Nitrone derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2002-09-11 EP disclosed
US-6034250-A ANTIOXIDANTS ADIR ET COMPAGNIE (FR) 2000-03-07 US disclosed
EP-0967207-A1 Nitrone derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1999-12-29 EP 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 (6 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-20180037590-A1 SUBSTITUTED QUINOLINES AS PDE-10 INHIBITORS PDE10A, PDE2A, PDE3A ENPP2 1332/4885CYP11B1 437/4885CYP11B2 503/4885
US-20130158003-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF COMT, GPR119, NLN ENPP2 3042/4885CYP11B1 72/4885CYP11B2 58/4885
US-10562916-B2 Substituted quinoxalines as PDE-10 inhibitors PDE4A, PDE2A, PDE9A ENPP2 309/4885CYP11B1 402/4885CYP11B2 469/4885
US-20060211720-A1 Heterocyclic compounds as inhibitors of factor VIIa TFPI, F7, HABP2 ENPP2 347/4885CYP11B1 2110/4885CYP11B2 2392/4885
US-20150166571-A1 Heteroaryl Compounds and Methods of Use Thereof COMT, GPR119, NLN ENPP2 3042/4885CYP11B1 72/4885CYP11B2 58/4885
US-20050101595-A1 N-containing cycloalkyl-substituted amino-thiazole derivatives and pharmaceutical compositions for inhibiting cell proliferation and methods for their use CCNI, MKI67, TK1 ENPP2 1567/4885CYP11B1 772/4885CYP11B2 796/4885

“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.