SCHEMBL252650

SCHEMBL252650

c1cncc(-c2nccs2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 9/20 1.00
PDPK1 O15530 1/20 0.64
CYP3A4 P08684 5/20 0.55
CYP2C9 P11712 4/20 0.55
CYP2B6 P20813 4/20 0.55
CYP2E1 P05181 3/20 0.55
ALDH1A1 P00352 3/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 2/20 0.53
CYP19A1 P11511 3/20 0.53
CYP2D6 P10635 1/20 0.53
AXL P30530 1/20 0.53
PBRM1 Q86U86 1/20 0.53
MKNK1 Q9BUB5 1/20 0.53
MKNK2 Q9HBH9 1/20 0.53
KDM4E B2RXH2 4/20 0.50
RAB9A P51151 2/20 0.50
HPGD P15428 2/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49

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
SCHEMBL29381812 1.00 CYP2A6 (1.00) CYP2A6PDPK1CYP3A4CYP2C9CYP2B6
Acetic Acid SCHEMBL5455986 0.88 CYP2A6 (0.78) CYP2A6PDPK1CYP3A4CYP2C9CYP2B6
Acetic Acid Methyl Ester SCHEMBL5465492 0.84 CYP2A6 (0.71) CYP2A6PDPK1CYP3A4CYP2C9CYP2B6
SCHEMBL1772043 0.83 CYP2A6 (0.70) CYP2A6PDPK1CYP3A4CYP2C9CYP2B6
Ethoxycarbonyl Group SCHEMBL28053332 0.82 CYP2A6 (0.68) CYP2A6PDPK1CYP3A4CYP2C9CYP2B6
2-Phenylthiazole SCHEMBL70646 0.79 PDPK1 (1.00) CYP2A6PDPK1CYP3A4CYP2C9ALDH1A1
SCHEMBL7079127 0.78 PDPK1 (0.67) CYP2A6PDPK1MKNK1MKNK2RAB9A
2-Phenylthiazole SCHEMBL4939218 0.77 PDPK1 (0.95) CYP2A6PDPK1CYP3A4CYP2C9ALDH1A1
2-Phenylthiazole SCHEMBL10519953 0.77 PDPK1 (0.95) CYP2A6PDPK1KDM4ERAB9ALOXL2
2-Phenylthiazole SCHEMBL10667585 0.77 PDPK1 (0.95) CYP2A6PDPK1CYP3A4CYP2C9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3060043-B1 PESTICIDAL COMPOSITIONS AND RELATED METHODS CORTEVA AGRISCIENCE LLC (US) 2025-11-26 EP claimed
CN-110407839-A The preparation and application of the triazol heterocycle compound of the structure containing heteroaryl amide UNIV JIANGXI NORMAL SCI & TECH 2019-11-05 CN claimed
US-9445597-B2 Pesticidal compositions and related methods DOW AGROSCIENCES LLC (US) 2016-09-20 US claimed
EP-3060043-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS Dow AgroSciences, LLC (US) 2016-08-31 EP claimed
EP-3055301-A1 RHO KINASE INHIBITORS Kadmon Corporation, LLC (US) 2016-08-17 EP claimed
CN-105658059-A Pesticidal compositions and related methods 美国陶氏益农公司 2016-06-08 CN claimed
US-20150166528-A1 Pesticidal methods using substituted 3-pyridyl thiazole compounds and derivatives for combating animal pests BASF SE (DE) 2015-06-18 US claimed
CN-104640442-A Pesticidal methods using substituted 3-pyridyl thiazole compounds and derivatives for combating animal pests BASF SE 2015-05-20 CN claimed
WO-2015061155-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS DOW AGROSCIENCES LLC (US) 2015-04-30 WO claimed
EP-2863738-A2 PESTICIDAL METHODS USING SUBSTITUTED 3-PYRIDYL THIAZOLE COMPOUNDS AND DERIVATIVES FOR COMBATING ANIMAL PESTS BASF SE (DE) 2015-04-29 EP claimed
WO-2013186089-A2 PESTICIDAL METHODS USING SUBSTITUTED 3-PYRIDYL THIAZOLE COMPOUNDS AND DERIVATIVES FOR COMBATING ANIMAL PESTS BASF SE (DE) 2013-12-19 WO claimed
WO-2013010947-A2 PESTICIDAL METHODS USING SUBSTITUTED 3-PYRIDYL THIAZOLE COMPOUNDS AND DERIVATIVES FOR COMBATING ANIMAL PESTS II BASF SE (DE) 2013-01-24 WO claimed
WO-2013010946-A2 PESTICIDAL METHODS USING SUBSTITUTED 3-PYRIDYL THIAZOLE COMPOUNDS AND DERIVATIVES FOR COMBATING ANIMAL PESTS I BASF SE (DE) 2013-01-24 WO claimed
US-20080188527-A1 Synthetic Compounds and Derivatives as Modulators of Smoking or Nicotine Ingestion and Lung Cancer HUMAN BIOMOLECULAR RESEARCH INSTITUTE 2008-08-07 US claimed
WO-2005066162-A1 SYNTHETIC COMPOUNDS AND DERIVATIVES AS MODULATORS OF SMOKING OR NICOTINE INGESTION AND LUNG CANCER HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2005-07-21 WO claimed
US-5866583-A Substituted 2,4-diaminopyrimidines HOFFMANN-LA ROCHE INC. (US) 1999-02-02 US claimed
EP-0680967-B1 Erythromycin derivatives, their process of preparation and their use as medicaments HOECHST MARION ROUSSEL INC (FR) 1998-10-14 EP claimed
US-5470862-A Intravenous anesthetics OHMEDA PHARMACEUTICAL PRODUCTS DIVISION INC. (US) 1995-11-28 US claimed
WO-1995029929-A1 NOVEL ERYTHROMYCIN DERIVATIVES, METHOD FOR THEIR PREPARATION AND THEIR USE AS DRUGS ROUSSEL UCLAF (FR) 1995-11-09 WO claimed
EP-0680967-A1 Erythromycin derivatives, their process of preparation and their use as medicaments ROUSSEL-UCLAF (FR) 1995-11-08 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 (2 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-20080188527-A1 Synthetic Compounds and Derivatives as Modulators of Smoking or Nicotine Ingestion and Lung Cancer CYP2A13, CYP2A6, CYP2B6 CYP2A6 2/4885PDPK1 2660/4885CYP3A4 45/4885
US-20150166528-A1 Pesticidal methods using substituted 3-pyridyl thiazole compounds and derivatives for combating animal pests PTMS, PDXK, TH CYP2A6 1875/4885PDPK1 653/4885CYP3A4 933/4885

“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.