SCHEMBL22979210

SCHEMBL22979210

Cn1cc(-c2nc3c4cccc(Br)c4nc(N[C@H]4CCCCNC4=O)n3n2)cn1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 9/20 0.37
ADORA2A P29274 8/20 0.37
ADORA3 P0DMS8 8/20 0.37
ADORA2B P29275 6/20 0.37
CHEK1 O14757 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
SCN9A Q15858 1/20 0.33
AURKA O14965 2/20 0.33
AURKB Q96GD4 2/20 0.33
IRAK4 Q9NWZ3 2/20 0.33
MKNK1 Q9BUB5 2/20 0.33
MKNK2 Q9HBH9 2/20 0.33
IRAK1 P51617 2/20 0.32

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
SCHEMBL22979037 1.00 ADORA1 (0.37) ADORA1ADORA2AADORA3ADORA2BCHEK1
SCHEMBL29648566 1.00 ADORA1 (0.37) ADORA1ADORA2AADORA3ADORA2BCHEK1
SCHEMBL29646475 1.00 ADORA1 (0.37) ADORA1ADORA2AADORA3ADORA2BCHEK1
SCHEMBL22988306 0.98 ADORA2A (0.35) ADORA1ADORA2AADORA3ADORA2BCHEK1
SCHEMBL29645819 0.94 SCN9A (0.35) ADORA1ADORA2AADORA3ADORA2BCHEK1
SCHEMBL22979965 0.94 SCN9A (0.35) ADORA1ADORA2AADORA3ADORA2BCHEK1
SCHEMBL22988474 0.91 ADORA2A (0.34) ADORA1ADORA2AADORA3ADORA2BSCN9A
SCHEMBL22978988 0.91 ADORA2A (0.38) ADORA1ADORA2AADORA3ADORA2BSCN9A
SCHEMBL29646141 0.91 ADORA2A (0.38) ADORA1ADORA2AADORA3ADORA2BSCN9A
SCHEMBL22978999 0.91 PIM1 (0.35) ADORA1ADORA2AADORA3ADORA2BSCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4013508-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES Bayer Aktiengesellschaft (DE) 2022-06-22 EP 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 ADORA1 21/4885ADORA2A 103/4885ADORA3 34/4885

“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.