SCHEMBL22979232

SCHEMBL22979232

N#Cc1cccc2c1nc(N[C@@H]1CCCCNC1=O)n1nc(-c3cnn(C4CC4)c3)nc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 3/20 0.36
PAK1 Q13153 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP3A5 P20815 2/20 0.33
CYP3A7 P24462 2/20 0.33
CYP2C19 P33261 2/20 0.33
PDK4 Q16654 2/20 0.33
CYP3A43 Q9HB55 2/20 0.33
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 0.32
ALK Q9UM73 1/20 0.31
KDM5B Q9UGL1 2/20 0.31
CSNK2A1 P68400 2/20 0.31
MKNK1 Q9BUB5 2/20 0.31
MKNK2 Q9HBH9 2/20 0.31
IRAK1 P51617 1/20 0.30
SCN9A Q15858 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
ADORA2B P29275 1/20 0.30

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
SCHEMBL22979051 0.98 KDM5A (0.38) KDM5APAK1CYP1A2CYP3A4CYP3A5
SCHEMBL22979950 0.91 CREBBP (0.35) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL29645963 0.90 PAK1 (0.35) KDM5APAK1CYP1A2CYP3A4CYP3A5
SCHEMBL22988279 0.90 PAK1 (0.35) KDM5APAK1CYP1A2CYP3A4CYP3A5
SCHEMBL22979141 0.89 KDM5A (0.35) KDM5APAK1CYP1A2CYP3A4CYP3A5
SCHEMBL22979260 0.89 JAK2 (0.37) KDM5AADORA2AADORA1KDM5BCSNK2A1
SCHEMBL22979183 0.89 PAK1 (0.33) PAK1CYP1A2CYP3A4CYP3A5CYP3A7
SCHEMBL29646142 0.89 PAK1 (0.33) PAK1CYP1A2CYP3A4CYP3A5CYP3A7
SCHEMBL25118922 0.88 JAK2 (0.33) ADORA2AADORA1MKNK1MKNK2SCN9A
SCHEMBL22979782 0.88 JAK2 (0.33) ADORA2AADORA1MKNK1MKNK2SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114466850-B [1,2,4] Triazolo [1,5-C ] quinazolin-5-amine 拜耳股份有限公司 2024-09-10 CN claimed
EP-4013508-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES Bayer Aktiengesellschaft (DE) 2022-06-22 EP claimed
CN-114466850-A [1,2,4] triazolo [1,5-C ] quinazolin-5-amines 拜耳股份有限公司 2022-05-10 CN claimed
WO-2021028382-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2021-02-18 WO claimed
US-20230113037-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2023-04-13 US disclosed
WO-2021028382-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2021-02-18 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 (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-20230113037-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES AHR, HRH4, HRH1 KDM5A 378/4885PAK1 1770/4885CYP1A2 74/4885

“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.