SCHEMBL8022098

SCHEMBL8022098

CN1CCc2ncc(Br)cc2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.44
CYP2C9 P11712 1/20 0.42
MAOA P21397 4/20 0.40
MAOB P27338 4/20 0.40
MAPT P10636 4/20 0.39
KDM4E B2RXH2 3/20 0.39
SLC6A4 P31645 1/20 0.39
ABHD6 Q9BV23 1/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
ADORA2A P29274 1/20 0.35
HSD17B10 Q99714 2/20 0.34

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
SCHEMBL30033295 1.00 CYP2C19 (0.44) CYP2C19CYP2C9MAOAMAOBMAPT
SCHEMBL21622374 0.85 ABHD6 (0.44) CYP2C19CYP2C9MAPTKDM4EABHD6
SCHEMBL14853093 0.81 CYP2C19 (0.45) CYP2C19CYP2C9MAOAMAOBMAPT
SCHEMBL1640454 0.80 HSP90AB1 (0.40) MAPTABHD6ADORA2A
SCHEMBL29520297 0.79 CYP2C19 (0.44) CYP2C19CYP2C9MAOAMAOBMAPT
SCHEMBL12887791 0.79 CYP2C19 (0.44) CYP2C19CYP2C9MAOAMAOBMAPT
SCHEMBL3440728 0.79 CYP2C19 (0.44) CYP2C19CYP2C9MAOAMAOBMAPT
SCHEMBL16265160 0.77 CYP2C19 (0.42) CYP2C19CYP2C9MAOAMAOBMAPT
SCHEMBL10263528 0.77 CYP2C19 (0.46) CYP2C19CYP2C9MAOAMAOBMAPT
SCHEMBL10202528 0.77 KDM4E (0.44) CYP2C19CYP2C9MAOAMAOBMAPT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117751104-A Compound with kinase inhibition function and preparation and application thereof 轶诺(浙江)药业有限公司 2024-03-22 CN disclosed
US-20230399341-A1 7-PHENYL SUBSTITUTED 2-AMINOQUINAZOLINE INHIBITORS OF HPK1 MERCK SHARP & DOHME LLC (US) 2023-12-14 US disclosed
US-20230399341-A1 7-PHENYL SUBSTITUTED 2-AMINOQUINAZOLINE INHIBITORS OF HPK1 MERCK SHARP & DOHME LLC (US) 2023-12-14 US disclosed
US-20230399341-A1 7-PHENYL SUBSTITUTED 2-AMINOQUINAZOLINE INHIBITORS OF HPK1 MERCK SHARP & DOHME LLC (US) 2023-12-14 US disclosed
EP-4240363-A1 7-PHENYL SUBSTITUTED 2-AMINOQUINAZOLINE INHIBITORS OF HPK1 Merck Sharp & Dohme LLC (US) 2023-09-13 EP disclosed
WO-2022253328-A1 COMPOUND HAVING KINASE INHIBITORY FUNCTION, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 轶诺(浙江)药业有限公司 2022-12-08 WO disclosed
CN-115433161-A Novel HPK1 inhibitor and preparation method and application thereof 轶诺(浙江)药业有限公司 2022-12-06 CN disclosed
WO-2022098806-A1 7-PHENYL SUBSTITUTED 2-AMINOQUINAZOLINE INHIBITORS OF HPK1 MERCK SHARP & DOHME CORP. (US) 2022-05-12 WO disclosed
US-8877745-B2 CCR2 receptor antagonists, method for producing the same, and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-04 US disclosed
US-20130123241-A1 NOVEL CCR2 RECEPTOR ANTAGONISTS, METHOD FOR PRODUCING THE SAME, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-16 US disclosed
WO-2009095253-A1 6-HALO-PYRAZOLO[1, 5-A]PYRIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR (MGLUR) MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2009-08-06 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 (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-20230399341-A1 7-PHENYL SUBSTITUTED 2-AMINOQUINAZOLINE INHIBITORS OF HPK1 PHKG1, PDXK, HIPK1 CYP2C19 4304/4885CYP2C9 4543/4885MAOA 3869/4885
US-20130123241-A1 NOVEL CCR2 RECEPTOR ANTAGONISTS, METHOD FOR PRODUCING THE SAME, AND USE THEREOF AS MEDICAMENTS CCR2, CXCR2, CYSLTR2 CYP2C19 676/4885CYP2C9 573/4885MAOA 2557/4885

“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.