SCHEMBL1419142

SCHEMBL1419142

CN(C)C(=O)Nc1c[c]ccc1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
TP53 P04637 1/20 0.49
PNPLA2 Q96AD5 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
APEX1 P27695 1/20 0.46

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
SCHEMBL10797565 0.85 MEN1 (0.54) TSHRTP53
SCHEMBL1451146 0.83 CA12 (0.54) TSHRTP53
SCHEMBL50031 0.81 HSD17B10 (0.57) TSHR
SCHEMBL1418852 0.80 MAPT (0.48)
SCHEMBL1416615 0.79 TSHR (0.60) TSHRTP53APEX1
SCHEMBL2531539 0.79 EPHX2 (0.41) TSHRTP53
Fenuron SCHEMBL9451054 0.78 TSHR (0.64) TSHR
Fenuron SCHEMBL8366971 0.78 TSHR (0.64) TSHR
Fenuron SCHEMBL62004 0.78 TSHR (0.64) TSHR
Fenuron SCHEMBL10806698 0.78 TSHR (0.64) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009064830-A1 SELECTIVE WEED CONTROL USING KARBUTILATE HERBICIDAL COMPOSITIONS, AND HERBICIDAL COMPOSITION COMPRISING KARBUTILATE AND AMETRYN SDS BIOTECH K.K. (JP) 2009-05-22 WO claimed
JP-11349417-A None JP disclosed
US-20200109139-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2020-04-09 US disclosed
US-20180273531-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2018-09-27 US disclosed
US-20170029418-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2017-02-02 US disclosed
US-20150183812-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC (JP) 2015-07-02 US disclosed
US-8835443-B2 Pyrimidine compound and medical use thereof JAPAN TOBACCO INC. (JP) 2014-09-16 US disclosed
US-20130172384-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED 2013-07-04 US disclosed
CN-101912400-B 5-amino-2,4,7-trioxo-3,4,7,8-tetrahydro-2h-pyrido[2,3-d] pyrimidine derivatives and related compounds for the treatment of cancer JAPAN TOBACCO INC 2013-06-26 CN disclosed
EP-2298768-B9 5-amino-2,4,7-trioxo-3,4,7,8-tetrahydro-2H-pyrido[2,3-d]pyrimidine derivatives and related compounds for the treatment of cancer JAPAN TOBACCO INC (JP) 2013-04-24 EP disclosed
US-20060265779-A1 Genetic and epigenetic manipulation of ABC transporters and ecto-phosphatases for the conference of drug resistance and for the loss of drug resistance in biological systems and methods for the detection of ecto-phosphatase inhibitors NATIONAL SCIENCE FOUNDATION 2006-11-23 US disclosed
US-20060014768-A1 Antiproliferative, anticancer, antitumor agents; rheumatism; N-{3-[3-cyclopropyl-5-(2-fluoro-4-iodo-phenylamino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydro-2H-pyrido[4,3-d]pyrimidin-1-yl]-phenyl}-acetamide; a p15, and/or a protein inducing action, and/or an MEK inhibitory action; side effect reduction JAPAN TOBACCO INC. (JP) 2006-01-19 US disclosed
WO-2005121142-A1 5-AMINO-2,4,7-TRIOXO-3,4,7,8-TETRAHYDRO-2H-PYRIDO’2,3-D! PYRIMIDINE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF CANCER JAPAN TOBACCO INC. (JP) 2005-12-22 WO disclosed
US-20040147506-A1 Benzimidazolone derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-07-29 US disclosed
EP-1386920-A1 BENZIMIDAZOLONE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-02-04 EP disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed
US-6448472-B1 MODULATING THE RESISTANCE PATHWAYS OF CELLS IN ORDER TO EITHER CONFER OR OVERCOME RESISTANCE TO HORMONES, DRUGS, HERBICIDES ETC.; VIA MODULATION OF EXTRA-CELLULAR PHOSPHATASE (ECTO-PHOSPHATASE) AND ABC (ATP-BINDING CASSETTE) TRANSPORTER BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2002-09-10 US disclosed
JP-H11349417-A AQUEOUS SUSPENSIONLIKE AGROCHEMICAL FORMULATION SDS BIOTECH KK 1999-12-21 JP disclosed
EP-0192111-B1 ISO-UREAS, PROCESSES FOR THEIR PRODUCTION AND THEIR USE AS HERBICIDES BASF Aktiengesellschaft (DE) 1990-05-16 EP disclosed
US-4692187-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1987-09-08 US 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 (7 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-20040147506-A1 Benzimidazolone derivatives HRH2, CCKAR, HRH4 TSHR 375/4885TP53 4082/4885PNPLA2 3452/4885
US-20180273531-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF TYMP, TYMS, DPYD TSHR 2677/4885TP53 54/4885PNPLA2 3355/4885
US-20170029418-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF TYMP, TYMS, DPYD TSHR 2677/4885TP53 54/4885PNPLA2 3355/4885
US-20060014768-A1 Antiproliferative, anticancer, antitumor agents; rheumatism; N-{3-[3-cyclopropyl-5-(2-fluoro-4-iodo-phenylamino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydro-2H-pyrido[4,3-d]pyrimidin-1-yl]-phenyl}-acetamide; a p15, and/or a protein inducing action, and/or an MEK inhibitory action; side effect reduction CDKN1A, CDK2, CDC25A TSHR 1121/4885TP53 31/4885PNPLA2 3599/4885
US-20130172384-A1 FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 TSHR 2274/4885TP53 1755/4885PNPLA2 460/4885
US-20200109139-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF TYMP, TYMS, DPYD TSHR 2677/4885TP53 54/4885PNPLA2 3355/4885
US-20150183812-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF TYMP, TYMS, DPYD TSHR 2677/4885TP53 54/4885PNPLA2 3355/4885

“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.