SCHEMBL3175243

SCHEMBL3175243

Cc1ccnc(NCc2ccccc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 1.00
MEN1 O00255 4/20 0.71
KMT2A Q03164 4/20 0.71
POLB P06746 2/20 0.71
FABP1 P07148 1/20 0.61
FABP6 P51161 1/20 0.61
ALDH1A1 P00352 3/20 0.59
HPGD P15428 3/20 0.59
KDM4E B2RXH2 2/20 0.59
MAPK14 Q16539 2/20 0.53
CXCR4 P61073 1/20 0.53
NPC1 O15118 3/20 0.52
RAB9A P51151 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C19 P33261 2/20 0.52
MAPT P10636 1/20 0.52
RECQL P46063 1/20 0.52
TP53 P04637 1/20 0.52
CYP2D6 P10635 1/20 0.52
TSHR P16473 1/20 0.52

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
SCHEMBL15830494 0.86 NOS2 (0.76) NOS2MEN1KMT2APOLBALDH1A1
SCHEMBL23408997 0.84 NOS2 (0.72) NOS2MEN1KMT2APOLBALDH1A1
SCHEMBL16220824 0.84 NOS2 (0.72) NOS2MEN1KMT2APOLBALDH1A1
SCHEMBL8419134 0.83 MEN1 (0.72) NOS2MEN1KMT2APOLBALDH1A1
SCHEMBL10986892 0.83 POLB (1.00) NOS2MEN1KMT2APOLBALDH1A1
SCHEMBL14818957 0.81 NOS2 (0.69) NOS2MEN1KMT2APOLBFABP1
SCHEMBL8422251 0.81 MEN1 (0.68) NOS2MEN1KMT2APOLBALDH1A1
SCHEMBL15830499 0.80 NOS2 (0.67) NOS2MEN1KMT2APOLBHPGD
SCHEMBL31240672 0.79 NOS2 (0.66) NOS2MEN1KMT2APOLBFABP1
SCHEMBL16041099 0.79 NOS2 (0.66) NOS2MEN1KMT2APOLBFABP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119529236-A Epoxy resin composition, epoxy resin composition containing reinforcing fibers, prepreg, thermoplastic resin, and fiber-reinforced plastic 日铁化学材料株式会社 2025-02-28 CN disclosed
WO-2023167049-A1 EPOXY RESIN COMPOSITION, REINFORCING FIBER-CONTAINING EPOXY RESIN COMPOSITION, PREPREG, FIBER REINFORCED PLASTIC EMPLOYING SAME, AND THERMOPLASTIC EPOXY RESIN 日鉄ケミカル&マテリアル株式会社 2023-09-07 WO disclosed
WO-2021178488-A1 EIF4E INHIBITORS AND USES THEREOF PIC Therapeutics, Inc. (US) 2021-09-10 WO disclosed
US-9669014-B2 Small molecule inhibitors of superoxide dismutase expression NORTHWESTERN UNIVERSITY (US) 2017-06-06 US disclosed
US-9669014-B2 Small molecule inhibitors of superoxide dismutase expression NORTHWESTERN UNIVERSITY (US) 2017-06-06 US disclosed
US-20160214969-A1 SMALL MOLECULE INHIBITORS OF SUPEROXIDE DISMUTASE EXPRESSION NORTHWESTERN UNIVERSITY (US) 2016-07-28 US disclosed
US-20160214969-A1 SMALL MOLECULE INHIBITORS OF SUPEROXIDE DISMUTASE EXPRESSION NORTHWESTERN UNIVERSITY (US) 2016-07-28 US disclosed
US-20150210679-A1 SMALL MOLECULE INHIBITORS OF SUPEROXIDE DISMUTASE EXPRESSION NORTHWESTERN UNIVERSITY (US) 2015-07-30 US disclosed
US-20150210679-A1 SMALL MOLECULE INHIBITORS OF SUPEROXIDE DISMUTASE EXPRESSION NORTHWESTERN UNIVERSITY (US) 2015-07-30 US disclosed
US-8623857-B2 N-phenyl imidazole carboxamide inhibitors of 3-phosphoinositide-dependent protein kinase-1 MERCK SHARP & DOHME CORP. (US) 2014-01-07 US disclosed
US-20070142369-A1 Combination of an H3 antagonist/inverse agonist and an appetite suppressant SCHERING CORPORATION 2007-06-21 US disclosed
US-20070072096-A1 Negative curable dye-containing composition, color filter, and method of manufacturing the same FUJI PHOTO FILM CO., LTD. 2007-03-29 US disclosed
US-20050227290-A1 Novel coordination complexes, and methods for preparing by combinatorial methods, assaying and using the same NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-10-13 US disclosed
US-6806289-B1 SUCH AS AMMINE (2-AMINO-3-PICOLINE) DICHLOROPLATINUM(II); EFFICIENCY AND SELECTIVITY FOR DESTROYING TRANSFORMED CELLS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-10-19 US disclosed
EP-1237849-A1 ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE UNIVERSITY COLLEGE LONDON (GB) 2002-09-11 EP disclosed
US-20020045679-A1 Aqueous ink composition HITACHI MAXELL, LTD. (JP) 2002-04-18 US disclosed
WO-2001032604-A1 ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE UNIVERSITY COLLEGE LONDON (GB) 2001-05-10 WO disclosed
US-5972975-A Substituted 2-aminopyridines as inhibitors of nitric oxide synthase MERCK & CO., INC. (US) 1999-10-26 US disclosed
WO-1996018616-A1 SUBSTITUTED 2-AMINOPYRIDINES AS INHIBITORS OF NITRIC OXIDE SYNTHASE MERCK & CO., INC. (US) 1996-06-20 WO disclosed
EP-0000816-A1 Substituted amino-pyridine derivatives, processes for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1979-02-21 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 (3 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-20160214969-A1 SMALL MOLECULE INHIBITORS OF SUPEROXIDE DISMUTASE EXPRESSION SOD1, SOD3, CAT NOS2 986/4885MEN1 4869/4885KMT2A 3638/4885
US-20070142369-A1 Combination of an H3 antagonist/inverse agonist and an appetite suppressant CNR2, GPR119, GLP1R NOS2 2679/4885MEN1 991/4885KMT2A 193/4885
US-20150210679-A1 SMALL MOLECULE INHIBITORS OF SUPEROXIDE DISMUTASE EXPRESSION SOD1, SOD3, CAT NOS2 986/4885MEN1 4869/4885KMT2A 3638/4885

“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.