SCHEMBL22980928

SCHEMBL22980928

Cn1cc(-c2nc3c4cccc(C5CC5)c4nc(N[C@@H]4CCCCNC4=O)n3n2)cn1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.37
ADORA1 P30542 8/20 0.37
ADORA3 P0DMS8 7/20 0.37
ADORA2B P29275 6/20 0.37
SCN9A Q15858 1/20 0.33
CREBBP Q92793 3/20 0.33
IRAK4 Q9NWZ3 2/20 0.33
BRD4 O60885 1/20 0.33
MKNK1 Q9BUB5 2/20 0.33
MKNK2 Q9HBH9 2/20 0.33
IRAK1 P51617 3/20 0.32
LRRK2 Q5S007 1/20 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
SCHEMBL29648550 1.00 ADORA2A (0.37) ADORA2AADORA1ADORA3ADORA2BSCN9A
SCHEMBL22979396 0.91 ADORA2A (0.34) ADORA2AADORA1ADORA3ADORA2BSCN9A
SCHEMBL29646141 0.91 ADORA2A (0.38) ADORA2AADORA1ADORA3ADORA2BSCN9A
SCHEMBL22978988 0.91 ADORA2A (0.38) ADORA2AADORA1ADORA3ADORA2BSCN9A
SCHEMBL22979210 0.90 ADORA1 (0.37) ADORA2AADORA1ADORA3ADORA2BSCN9A
SCHEMBL22979168 0.90 ADORA2A (0.37) ADORA2AADORA1ADORA3ADORA2BSCN9A
SCHEMBL29648566 0.90 ADORA1 (0.37) ADORA2AADORA1ADORA3ADORA2BSCN9A
SCHEMBL22980138 0.90 ADORA2A (0.37) ADORA2AADORA1ADORA3ADORA2BSCN9A
SCHEMBL22979037 0.90 ADORA1 (0.37) ADORA2AADORA1ADORA3ADORA2BSCN9A
SCHEMBL29648570 0.90 ADORA2A (0.37) ADORA2AADORA1ADORA3ADORA2BSCN9A

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 ADORA2A 103/4885ADORA1 21/4885ADORA3 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.