SCHEMBL513746

SCHEMBL513746

NC(=O)Nc1ncncn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.43
CYP1A2 P05177 1/20 0.37
PEPD P12955 1/20 0.37
HSP90AA1 P07900 1/20 0.36
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 1/20 0.35
P2RX7 Q99572 1/20 0.35
GAA P10253 2/20 0.33
MAPT P10636 1/20 0.33
GFER P55789 1/20 0.33
LMNA P02545 2/20 0.32
KIF11 P52732 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
APP P05067 1/20 0.32
ACHE P22303 1/20 0.32
NR3C2 P08235 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL3470061 0.83 CYP1A2 (0.42) CYP1A2PEPDALDH1A1NPC1GAA
SCHEMBL9790159 0.82 EPHX2 (0.41) EPHX2HSP90AA1P2RX7LMNAHTT
SCHEMBL1594378 0.78 LMNA (0.52) EPHX2CYP1A2ALDH1A1NPC1P2RX7
SCHEMBL2472029 0.78 EPHX2 (0.44) EPHX2HSP90AA1P2RX7GAALMNA
SCHEMBL515370 0.77 ALDH1A1 (0.38) EPHX2PEPDHSP90AA1ALDH1A1P2RX7
SCHEMBL9948710 0.76 L3MBTL1 (0.50) EPHX2CYP1A2GAALMNAKDM4E
SCHEMBL3675918 0.76 EPHX2 (0.47) EPHX2HSP90AA1P2RX7LMNAKDM4E
SCHEMBL3988247 0.76 HSP90AA1 (0.36) EPHX2HSP90AA1
Hydrochloric Acid SCHEMBL29102678 0.76 LMNA (0.50) EPHX2CYP1A2ALDH1A1NPC1P2RX7
SCHEMBL8320889 0.76 LMNA (0.50) EPHX2CYP1A2ALDH1A1NPC1P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024026372-A2 HYDROGEN BONDING BOTTLEBRUSH POLYMERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-02-01 WO claimed
CN-112708102-B Synthesis of waterborne polyurethane dispersion containing quadruple hydrogen bonds based on ureido triazine structure and preparation method thereof 华南理工大学 2022-03-29 CN claimed
CN-112961006-A Fresh waxy corn organic nutrient fertilizer and preparation method thereof 酒泉农辉农业科技开发有限公司 2021-06-15 CN claimed
CN-112708102-A Synthesis of waterborne polyurethane dispersion containing quadruple hydrogen bonds based on ureido triazine structure and preparation method thereof 华南理工大学 2021-04-27 CN claimed
US-9873811-B2 Highly conductive material formed by hybridization of metal nanomaterial and carbon nanomaterial having higher-order structure due to multiple hydrogen bonding, and manufacturing method therefor KOREA ELECTROTECHNOLOGY RESEARCH INSTITUTE (KR) 2018-01-23 US claimed
CN-103554045-B The 1,3,5-triazine carbamate containing vinyl, methylacryloyl or acryloyl group of radiation-hardenable and 1,3,5-triazine urea 巴斯夫欧洲公司 2016-08-17 CN claimed
US-20160009934-A1 HIGHLY CONDUCTIVE MATERIAL FORMED BY HYBRIDIZATION OF METAL NANOMATERIAL AND CARBON NANOMATERIAL HAVING HIGHER-ORDER STRUCTURE DUE TO MULTIPLE HYDROGEN BONDING, AND MANUFACTURING METHOD THEREFOR KOREA ELECTROTECHNOLOGY RESEARCH INSTITUTE 2016-01-14 US claimed
US-9227941-B2 Carbon nanomaterial having higher order structure by means of multiple hydrogen bonds and method for preparing same Korea Eletrotechnology Research Institute (KR) 2016-01-05 US claimed
US-20150218108-A1 CARBON NANOMATERIAL HAVING HIGHER ORDER STRUCTURE BY MEANS OF MULTIPLE HYDROGEN BONDS AND METHOD FOR PREPARING SAME KOREA ELECTROTECHNOLOGY RESEARCH INSTITUTE (KR) 2015-08-06 US claimed
CN-103554045-A Radiation curable 1,3,5-triazine carbamates and 1,3,5-triazine ureas containing vinyl groups, methacryloyl groups, or acryloyl groups BASF SE 2014-02-05 CN claimed
EP-1797868-A1 Cosmetic composition comprising a (thio)urethane/(thio)urea copolymer capable of forming at least 3 hydrogen bonds, and process for cosmetic treatment L'Oréal (FR) 2007-06-20 EP claimed
EP-1797867-A1 Cosmetic or pharmaceutical composition comprising a copolymer containing at least one ionisable group, and cosmetic treatment L'Oréal (FR) 2007-06-20 EP claimed
JP-2005520777-A 2005-07-14 JP claimed
WO-2005030735-A1 TRIAZINES DERIVATIVES AS CELL ADHESION INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2005-04-07 WO claimed
US-20040161394-A1 Cosmetic composition forming after application a supramolecular polymer L'OREAL (FR) 2004-08-19 US claimed
EP-1392222-A1 COSMETIC COMPOSITION FORMING AFTER APPLICATION A SUPRAMOLECULAR POLYMER L'OREAL (FR) 2004-03-03 EP claimed
WO-2002098377-A1 COSMETIC COMPOSITION FORMING AFTER APPLICATION A SUPRAMOLECULAR POLYMER L'OREAL (FR) 2002-12-12 WO claimed
CN-1064388-A Be used to promote and suppress the preparation of plant growing VNII CHIM SREDSTV ZASCHITY (SU) 1992-09-16 CN claimed
US-4857100-A Phenylsulfonylureas CIBA-GEIGY CORPORATION (US) 1989-08-15 US claimed
EP-0044809-B1 N-(2-SUBSTITUTED PHENYLSULFONYL)-N'-TRIAZINYL UREAS CIBA-GEIGY AG (CH) 1983-08-31 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20040161394-A1 Cosmetic composition forming after application a supramolecular polymer KRT18, DSG1, CUTA EPHX2 2941/4885CYP1A2 4847/4885PEPD 4625/4885

“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.