SCHEMBL282107

SCHEMBL282107

COc1cc(N=C=O)ccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.61
TDP1 Q9NUW8 2/20 0.61
ALDH1A1 P00352 4/20 0.46
CYP3A4 P08684 3/20 0.46
HPGD P15428 2/20 0.46
TRPA1 O75762 1/20 0.44
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.40
TSHR P16473 2/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
PTGS2 P35354 2/20 0.37
PTGS1 P23219 1/20 0.37
DYRK1A Q13627 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 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
SCHEMBL421340 0.86 TDP1 (0.61) MAPK1TDP1ALDH1A1CYP3A4HPGD
SCHEMBL29600721 0.83 HTR3E (0.53) MAPK1TDP1ALDH1A1CYP3A4HPGD
SCHEMBL307695 0.83 HTR3E (0.53) MAPK1TDP1ALDH1A1CYP3A4HPGD
SCHEMBL11748612 0.82 MAPK1 (0.53) MAPK1TDP1ALDH1A1CYP3A4HPGD
SCHEMBL893938 0.81 CYP3A4 (0.49) MAPK1TDP1ALDH1A1CYP3A4HPGD
SCHEMBL9533540 0.81 TDP1 (0.56) MAPK1TDP1ALDH1A1CYP3A4HPGD
SCHEMBL29800238 0.80 CYP3A4 (0.71) MAPK1TDP1ALDH1A1CYP3A4HPGD
SCHEMBL543088 0.80 CYP3A4 (0.71) MAPK1TDP1ALDH1A1CYP3A4HPGD
SCHEMBL13586979 0.79 ALDH1A1 (0.44) MAPK1ALDH1A1HPGDMAPTNPC1
SCHEMBL15987971 0.79 CYP3A4 (0.46) MAPK1TDP1ALDH1A1CYP3A4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103121972-B As the pyrimidine urea derivatives of kinase inhibitor NOVARTIS AG (CH) 2015-07-29 CN disclosed
US-8957087-B2 Heterocyclic substituted acardite derivate and application thereof Jiangsu Provincial Institute of Materia Medica Co., Ltd. (CN) 2015-02-17 US disclosed
EP-2428506-B1 HETEROCYCLIC SUBSTITUTED ACARDITE DERIVATES AND USE THEREOF NANJING LUYESIKE PHARMACEUTICAL CO LTD (CN) 2014-03-05 EP disclosed
EP-1487841-B1 THIOPYRIMIDINE AND ISOTHIAZOLOPYRIMIDINE KINASE INHIBITORS ABBVIE INC (US) 2014-01-15 EP disclosed
EP-2428506-A1 HETEROCYCLIC SUBSTITUTED ACARDITE DERIVATES AND USE THEREOF Jiangsu Provincial Institute Of Materia Medica Co. (CN) 2012-03-14 EP disclosed
US-20120053192-A1 Heterocyclic Substituted Acardite Derivate and Application Thereof NANJING LUYESIKE PHARMACEUTICAL CO., LTD. (CN) 2012-03-01 US disclosed
US-7560552-B2 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABBOTT LABORATORIES (US) 2009-07-14 US disclosed
US-20060276490-A1 Thiopyrimidine and isothiazolopyrimidine Kinase Inhibitors MICHAELIDES MICHAEL R 2006-12-07 US disclosed
EP-1487841-A1 THIOPYRIMIDINE AND ISOTHIAZOLOPYRIMIDINE KINASE INHIBITORS Abbott Laboratories (US) 2004-12-22 EP disclosed
US-20040014756-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABBVIE INC. 2004-01-22 US disclosed
WO-2003080625-A1 THIOPYRIMIDINE AND ISOTHIAZOLOPYRIMIDINE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2003-10-02 WO disclosed
EP-0371240-B1 USE OF N-PHENYL-SUBSTITUTED OXAZINDIONES AS HERBICIDES AND N-PHENYL-SUBSTITUTED OXAZINDIONES AND SOME PROCESSES FOR THEIR PRODUCTION BAYER AG (DE) 1993-06-16 EP disclosed
US-5164498-A Herbicidal N-phenyl-substituted oxazinediones BAYER AKTIENGESELLSCHAFT (DE) 1992-11-17 US disclosed
EP-0241559-B1 OXAZOLIDINEDIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND HERBICIDES CONTAINING THE SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-10-30 EP disclosed
US-5061310-A HERBICIDAL N-PHENYL-SUBSTITUTED OXAZINEDIONES AND OXAZINONETHIONES BAYER AKTIENGESELLSCHAFT (DE) 1991-10-29 US disclosed
US-4983751-A Chemical intermediates SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-01-08 US disclosed
EP-0371240-A1 Use of N-phenyl-substituted oxazindiones as herbicides and N-phenyl-substituted oxazindiones and some processes for their production BAYER AG (DE) 1990-06-06 EP disclosed
US-4818272-A NONPHYTOTOXICITY FOR CROPS HELICAL STREAMS SAGAMI CHEMICAL RESEARCH CENTER (JP) 1989-04-04 US disclosed
EP-0290902-A2 Condensed (thio)hydantoins BAYER AG (DE) 1988-11-17 EP disclosed
EP-0241559-A1 OXAZOLIDINEDIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND HERBICIDES CONTAINING THE SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1987-10-21 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-20040014756-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK MAPK1 212/4885TDP1 613/4885ALDH1A1 1463/4885
US-20060276490-A1 Thiopyrimidine and isothiazolopyrimidine Kinase Inhibitors ABL1, LCK, ERBB2 MAPK1 436/4885TDP1 787/4885ALDH1A1 2048/4885
US-20120053192-A1 Heterocyclic Substituted Acardite Derivate and Application Thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IDH1, CA7 MAPK1 3213/4885TDP1 2286/4885ALDH1A1 112/4885

“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.