SCHEMBL246203

SCHEMBL246203

c1cncc(-n2cccn2)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.58
NOTUM Q6P988 1/20 0.52
CYP3A4 P08684 2/20 0.50
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP2E1 P05181 2/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.43
ELANE P08246 1/20 0.42
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
EP300 Q09472 1/20 0.41
KAT2B Q92831 1/20 0.41
NAMPT P43490 2/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL31554123 1.00 CYP2A6 (0.58) CYP2A6NOTUMCYP3A4KDM4EALDH1A1
Butylamine SCHEMBL27666352 0.83 CYP2A6 (0.43) CYP2A6NOTUMCYP3A4KDM4EALDH1A1
SCHEMBL13734402 0.81 ERCC1 (0.52) CYP2A6NOTUMCYP3A4ALDH1A1NAMPT
Pyridine SCHEMBL28534733 0.79 NOTUM (0.57) NOTUMCYP3A4KDM4EALDH1A1MAPK1
SCHEMBL18450698 0.78 KDM4E (0.52) CYP2A6NOTUMKDM4EALDH1A1MAPK1
SCHEMBL27250 0.78 NOTUM (0.65) NOTUMKDM4EALDH1A1MAPK1HTT
SCHEMBL3507948 0.77 CYP2A6 (0.51) CYP2A6CYP3A4ALDH1A1CYP2E1MAPK1
SCHEMBL4341894 0.77 NOTUM (0.78) NOTUMKDM4EALDH1A1MAPK1DRD2
SCHEMBL842039 0.76 NOTUM (0.63) NOTUMKDM4EALDH1A1MAPK1HTT
SCHEMBL5934873 0.76 NOTUM (0.57) NOTUMKDM4EALDH1A1MAPK1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105682461-B Pesticidal combination and relative method 美国陶氏益农公司 2019-06-14 CN claimed
US-9549560-B2 Pesticidal compositions and related methods DOW AGROSCIENCES LLC (US) 2017-01-24 US claimed
US-9497966-B2 Pesticidal compositions and related methods DOW AGROSCIENCES LLC (US) 2016-11-22 US claimed
EP-3060047-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS Dow AgroSciences, LLC (US) 2016-08-31 EP claimed
EP-3060046-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS Dow AgroSciences LLC (US) 2016-08-31 EP claimed
CN-105682461-A Pesticidal compositions and related methods 美国陶氏益农公司 2016-06-15 CN claimed
WO-2015061161-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS DOW AGROSCIENCES LLC (US) 2015-04-30 WO claimed
WO-2015061157-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS DOW AGROSCIENCES LLC (US) 2015-04-30 WO claimed
US-20150111733-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS DOW AGROSCIENCES LLC 2015-04-23 US claimed
US-20150111732-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS DOW AGROSCIENCES LLC 2015-04-23 US claimed
CN-102223798-A Pyrazole compounds for controlling invertebrate pests BASF SE 2011-10-19 CN 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
WO-2025040546-A1 PYRAZOLE COMPOUNDS AS CULLIN RING UBIQUITIN LIGASE COMPOUNDS PROXYGEN GMBH (AT) 2025-02-27 WO disclosed
CN-119504433-A Carboxylic acid esterification method 国网安徽省电力有限公司电力科学研究院 2025-02-25 CN disclosed
US-20240245670-A1 DOSING REGIMEN AND PHARMACEUTICAL COMBINATION COMPRISING 3-(1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES NOVARTIS AG (CH) 2024-07-25 US disclosed
US-20070135633-A1 Process for producing N-(hetero)aryl-substituted nitrogen-containing heteroaryl compound FUJIFILM FINECHEMICALS CO., LTD (JP) 2007-06-14 US disclosed
EP-1795529-A2 Process for producing N-(Hetero)Aryl-substituted nitrogen-containing heteroaryl compound FUJIFILM FINECHEMICALS CO., LTD. (JP) 2007-06-13 EP disclosed
US-20060135447-A1 Macrolides CHUPAK LOUIS S 2006-06-22 US disclosed
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 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-20060135447-A1 Macrolides LCAT, NOP2, HDAC6 CYP2A6 426/4885NOTUM 484/4885CYP3A4 531/4885
US-20240245670-A1 DOSING REGIMEN AND PHARMACEUTICAL COMBINATION COMPRISING 3-(1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES IKZF1, IKZF2, IKZF3 CYP2A6 2465/4885NOTUM 4035/4885CYP3A4 1376/4885
US-20150111732-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS ACHE, PRDX1, PRDX2 CYP2A6 2897/4885NOTUM 2767/4885CYP3A4 1354/4885
US-20080188527-A1 Synthetic Compounds and Derivatives as Modulators of Smoking or Nicotine Ingestion and Lung Cancer CYP2A13, CYP2A6, CYP2B6 CYP2A6 2/4885NOTUM 1427/4885CYP3A4 45/4885
US-20150111733-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS ACHE, CNP, PRDX2 CYP2A6 1975/4885NOTUM 1964/4885CYP3A4 648/4885
US-20070135633-A1 Process for producing N-(hetero)aryl-substituted nitrogen-containing heteroaryl compound PARG, PARN, ASNS CYP2A6 878/4885NOTUM 4283/4885CYP3A4 104/4885

“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.