SCHEMBL22979749

SCHEMBL22979749

CN1CCNC(=O)[C@H](Nc2nc3c(Br)cccc3c3nc(-c4cnn(C)c4)nn23)C1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 10/20 0.32
ADORA2A P29274 8/20 0.32
ADORA1 P30542 8/20 0.32
ADORA2B P29275 5/20 0.32
IRAK1 P51617 5/20 0.31
IRAK4 Q9NWZ3 4/20 0.31
RAD52 P43351 1/20 0.31
PIM1 P11309 2/20 0.30
AURKA O14965 1/20 0.30
AURKB Q96GD4 1/20 0.30
PIM2 Q9P1W9 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
SCHEMBL29645740 1.00 ADORA3 (0.32) ADORA3ADORA2AADORA1ADORA2BIRAK1
SCHEMBL22979965 0.90 SCN9A (0.35) ADORA3ADORA2AADORA1ADORA2BIRAK1
SCHEMBL29645819 0.90 SCN9A (0.35) ADORA3ADORA2AADORA1ADORA2BIRAK1
SCHEMBL22979512 0.90 ADORA3 (0.34) ADORA3ADORA2AADORA1ADORA2BAURKA
SCHEMBL22988306 0.89 ADORA2A (0.35) ADORA3ADORA2AADORA1ADORA2BIRAK1
SCHEMBL22979210 0.88 ADORA1 (0.37) ADORA3ADORA2AADORA1ADORA2BIRAK1
SCHEMBL22979037 0.88 ADORA1 (0.37) ADORA3ADORA2AADORA1ADORA2BIRAK1
SCHEMBL22988299 0.88 ADORA3 (0.34) ADORA3ADORA2AADORA1ADORA2BIRAK4
SCHEMBL22987861 0.88 ADORA3 (0.34) ADORA3ADORA2AADORA1ADORA2BIRAK4
SCHEMBL29648566 0.88 ADORA1 (0.37) ADORA3ADORA2AADORA1ADORA2BIRAK1

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 ADORA3 34/4885ADORA2A 103/4885ADORA1 21/4885

“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.