SCHEMBL2007768

SCHEMBL2007768

[NH]c1cccc2[nH]ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.56
PIK3CD O00329 2/20 0.46
RHEB Q15382 9/20 0.43
HTR6 P50406 2/20 0.43
MAPK1 P28482 1/20 0.43
ADRB1 P08588 1/20 0.43
TRPA1 O75762 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ITGB2 P05107 1/20 0.41
ICAM1 P05362 1/20 0.41
ITGAL P20701 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
ADK P55263 1/20 0.41
ASH1L Q9NR48 1/20 0.39
PIK3CB P42338 1/20 0.37
HTR1B P28222 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL20540332 0.75 PIK3CD (0.64) AHRPIK3CDRHEBHTR6MAPK1
SCHEMBL879761 0.73 AHR (0.58) AHRPIK3CDRHEBHTR6MAPK1
SCHEMBL3335002 0.73 AHR (0.58) AHRPIK3CDRHEBHTR6MAPK1
SCHEMBL30681623 0.73 AHR (0.57) AHRPIK3CDRHEBMAPK1ADRB1
SCHEMBL65514 0.71 AHR (0.56) AHRPIK3CDRHEBHTR6MAPK1
SCHEMBL147290 0.71 AHR (1.00) AHRPIK3CDRHEBHTR6MAPK1
SCHEMBL10718362 0.71 AHR (0.56) AHRPIK3CDRHEBHTR6MAPK1
SCHEMBL9232128 0.71 AHR (0.56) AHRPIK3CDRHEBHTR6MAPK1
SCHEMBL18805064 0.71 AHR (0.56) AHRPIK3CDRHEBHTR6MAPK1
SCHEMBL113992 0.71 AHR (0.56) AHRPIK3CDRHEBHTR6MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394974-B2 Process for producing optically active chromene oxide compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-03-12 US disclosed
US-8173808-B2 Substituted naphthalenyl-pyrimidine compounds ARQULE, INC. (US) 2012-05-08 US disclosed
US-7964623-B2 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2011-06-21 US disclosed
US-20100081808-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE EPOXY COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-04-01 US disclosed
US-20100069374-A1 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-03-18 US disclosed
US-7652008-B2 2,2,7,9-tetramethyl-4-[(2-phenylethyl)amino]-3,4-dihydro-2H-pyrano[2,3-g]quinolin-3-ol; 3-hydroxy-2,2,9-trimethyl-4-[(2-phenylethyl)amino]-3,4-dihydro-2H-pyrano[2,3-g]quinolin-7-carbonitrile; have the prolongation effect on refractory period NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-01-26 US disclosed
EP-2133343-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE EPOXY COMPOUND Nissan Chemical Industries, Ltd. (JP) 2009-12-16 EP disclosed
EP-2003135-A9 PROCESS FOR PRODUCING OPTICALLY ACTIVE CHROMENE OXIDE COMPOUND Nissan Chemical Industries, Ltd. (JP) 2009-04-22 EP disclosed
US-20090043100-A1 Process for Producing Optically Active Chromene Oxide Compound NISSAN CHEMICAL INDUSTRIES, LTD (JP) 2009-02-12 US disclosed
EP-2003135-A2 PROCESS FOR PRODUCING OPTICALLY ACTIVE CHROMENE OXIDE COMPOUND Nissan Chemical Industries, Ltd. (JP) 2008-12-17 EP disclosed
US-20040038856-A1 Treatment of fibroproliferative disorders using TGF-beta inhibitors SCIOS, INC. 2004-02-26 US disclosed
WO-2004010929-A2 METHODS FOR IMPROVEMENT OF LUNG FUNCTION USING TGF-β INHIBITORS SCIOS, INC. (US) 2004-02-05 WO disclosed
WO-2003097615-A1 TREATMENT OF FIBROPROLIFERATIVE DISORDERS USING TGF-β INHIBITORS SCIOS, INC. (US) 2003-11-27 WO disclosed
US-20030069248-A1 Quinazoline derivatives as medicaments CHAKRAVARTY SARVAJIT (US) 2003-04-10 US disclosed
US-6476031-B1 Quinazoline derivatives as medicaments SCIOS, INC. 2002-11-05 US disclosed
US-20020161010-A1 Quinazoline derivatives as medicaments CHAKRAVARTY SARVAJIT (US) 2002-10-31 US disclosed
US-6277989-B1 USEFUL IN TREATING CONDITIONS THAT ARE CHARACTERIZED BY ENHANCED P38 KINASE ACTIVITY AND/OR TRANSFORMING GROWTH FACTOR BETA (TGF-.BETA.) ACTIVITY SUCH AS INFLAMMATION, PROLIFERATIVE DISEASES, AND CERTAIN CARDIOVASCULAR DISORDERS SCIOS, INC. 2001-08-21 US disclosed
EP-1107959-A2 QUINAZOLINE DERIVATIVES AS MEDICAMENTS SCIOS INC. (US) 2001-06-20 EP disclosed
US-6184226-B1 ANTIINFLAMMATORY AGENTS FOR TREATMENT OF CARDIOVASCULAR SYSTEM DISORDERS/RESPIRATORY SYSTEM DISORDERS, ANTIISCHEMIC AGENTS SCIOS INC. 2001-02-06 US disclosed
WO-2000012497-A2 QUINAZOLINE DERIVATIVES AS MEDICAMENTS SCIOS INC. (US) 2000-03-09 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 (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-20100069374-A1 Tricyclic benzopyrane compound CBR1, CBR3, CYP2C9 AHR 644/4885PIK3CD 4331/4885RHEB 4648/4885
US-20100081808-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE EPOXY COMPOUND OSTC, EEF1D, SQLE AHR 3375/4885PIK3CD 1403/4885RHEB 546/4885
US-20020161010-A1 Quinazoline derivatives as medicaments SMAD3, SMAD2, TGFBR1 AHR 1725/4885PIK3CD 641/4885RHEB 1894/4885
US-20040038856-A1 Treatment of fibroproliferative disorders using TGF-beta inhibitors TGFBR1, TGFBR2, SMAD3 AHR 4011/4885PIK3CD 2785/4885RHEB 1166/4885
US-20030069248-A1 Quinazoline derivatives as medicaments SMAD3, SMAD2, TGFBR1 AHR 1725/4885PIK3CD 641/4885RHEB 1894/4885
US-20090043100-A1 Process for Producing Optically Active Chromene Oxide Compound CYP2C19, CYP2C9, CYP1A2 AHR 316/4885PIK3CD 1740/4885RHEB 2635/4885

“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.