SCHEMBL4059259

SCHEMBL4059259

Nc1nc2cnccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 3/20 0.55
ALDH1A1 P00352 3/20 0.55
KMT2A Q03164 2/20 0.55
MASP2 O00187 1/20 0.55
MEN1 O00255 1/20 0.55
AOC3 Q16853 1/20 0.55
CDK5 Q00535 3/20 0.45
CDK5R1 Q15078 3/20 0.45
PLAU P00749 1/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44
BACE1 P56817 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
FABP6 P51161 1/20 0.42
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL30678618 1.00 NUDT1 (0.55) NUDT1ALDH1A1KMT2AMASP2MEN1
SCHEMBL9698797 0.83 ALDH1A1 (0.55) NUDT1ALDH1A1KMT2AMASP2MEN1
SCHEMBL4448533 0.75 ALDH1A1 (0.42) ALDH1A1PDE3BPDE3AKDM4EGAA
SCHEMBL562793 0.75 DAO (0.44) ALDH1A1PDE3BPDE3AKDM4EACHE
SCHEMBL17950072 0.75 PDE3B (0.41) ALDH1A1PDE3BPDE3AKDM4EMAPT
SCHEMBL2143546 0.75 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1PDE3BPDE3A
SCHEMBL3987647 0.75 PDE3B (0.41) ALDH1A1PDE3BPDE3AKDM4EMAPT
SCHEMBL31875233 0.75 CACNA1H (0.44) AOC3PDE3BPDE3AGAARAD52
SCHEMBL4072911 0.75 CACNA1H (0.44) AOC3PDE3BPDE3AGAARAD52
SCHEMBL9240666 0.75 KDM4C (0.39) ALDH1A1KMT2AMEN1PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260109715-A1 IMIDAZOPYRIDINE DERIVATIVES WITH BICYCLIC STRUCTURE PUBLIC UNIVERSITY CORPORATION YOKOHAMA CITY UNIVERSITY (JP) 2026-04-23 US disclosed
CN-118063491-A Imide catalyst auxiliary agent, polyimide film and preparation method 中国科学院化学研究所 2024-05-24 CN disclosed
CN-117740961-A Compound analysis method of liquorice and liquorice probiotics fermentation preparation 北京中医药大学 2024-03-22 CN disclosed
EP-4242199-A1 USE OF STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI CONTAINING AN AMINO ACID SUBSTITUTION F129L IN THE MITOCHONDRIAL CYTOCHROME B PROTEIN CONFERRING RESISTANCE TO QO INHIBITORS XII BASF SE (DE) 2023-09-13 EP disclosed
US-8778963-B2 Hydroxylamine and oxime substituted imidazoquinolines, imidazopyridines, and imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-07-15 US disclosed
EP-1789042-A4 1-ALKOXY 1H-IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2009-07-22 EP disclosed
EP-1831221-A4 SUBSTITUTED CHIRAL FUSED 1,2 IMIDAZO 4,5-C RING COMPOUNDS 3M INNOVATIVE PROPERTIES CO (US) 2008-11-05 EP disclosed
EP-1831221-A2 SUBSTITUTED CHIRAL FUSED 1,2 IMIDAZO 4,5-C RING COMPOUNDS 3M Innovative Properties Company (US) 2007-09-12 EP disclosed
EP-1789042-A2 1-ALKOXY 1H-IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-30 EP disclosed
US-20070099901-A1 Hydroxylamine and oxime substituted imidazoquinolines, imidazopyridines, and imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-03 US disclosed
WO-2006026760-A2 1-AMINO IMIDAZO-CONTAINING COMPOUNDS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-09 WO disclosed
WO-2006009832-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-01-26 WO disclosed
WO-2006009826-A1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED THIAZOLOQUINOLINES AND THIAZOLONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-01-26 WO disclosed
US-RE33833-E Intermediates for antihistamines, antiserotonine agents JANSSEN PHARMACEUTICA N.V. (BE) 1992-02-25 US disclosed
US-4820822-A ANTIHISTAMINE, ANTISEROTONINE AGENTS JANSSEN PHARMACEUTICA (BE) 1989-04-11 US disclosed
EP-0297661-A1 [(Bicyclic heterocyclyl)methyl and -hetero] substituted hexahydro-1H-azepines and pyrrolidines JANSSEN PHARMACEUTICA N.V. (BE) 1989-01-04 EP disclosed
US-4760074-A Novel-N-(bicyclic heterocyclyl)-4-piperidinamines JANSSEN PHARMACEUTICA N.V. (BE) 1988-07-26 US disclosed
EP-0099139-B1 NOVEL N-(BICYCLIC HETEROCYCLYL)-4-PIPERIDINAMINES JANSSEN PHARMACEUTICA N.V. (BE) 1987-02-11 EP disclosed
US-4556660-A ANTIALLERGENS JANSSEN PHARMACEUTICA N.V. (BE) 1985-12-03 US disclosed
EP-0099139-A2 Novel N-(bicyclic heterocyclyl)-4-piperidinamines JANSSEN PHARMACEUTICA N.V. (BE) 1984-01-25 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 (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-20260109715-A1 IMIDAZOPYRIDINE DERIVATIVES WITH BICYCLIC STRUCTURE SMG1, RACK1, TIA1 NUDT1 2555/4885ALDH1A1 2420/4885KMT2A 3251/4885
US-20070099901-A1 Hydroxylamine and oxime substituted imidazoquinolines, imidazopyridines, and imidazonaphthyridines IFNG, IRF3, IDO1 NUDT1 56/4885ALDH1A1 679/4885KMT2A 1578/4885

“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.