SCHEMBL22979965

SCHEMBL22979965

Cn1cc(-c2nc3c4cccc(Br)c4nc(N[C@@H]4CCNC4=O)n3n2)cn1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.35
ADORA3 P0DMS8 8/20 0.35
ADORA2A P29274 7/20 0.35
ADORA1 P30542 6/20 0.35
ADORA2B P29275 5/20 0.35
CHEK1 O14757 2/20 0.35
CCNA2 P20248 2/20 0.35
CDK2 P24941 2/20 0.35
CCNA1 P78396 2/20 0.35
IRAK1 P51617 5/20 0.33
IRAK4 Q9NWZ3 4/20 0.33
PIM1 P11309 1/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 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
SCHEMBL29645819 1.00 SCN9A (0.35) SCN9AADORA3ADORA2AADORA1ADORA2B
SCHEMBL22988306 0.95 ADORA2A (0.35) SCN9AADORA3ADORA2AADORA1ADORA2B
SCHEMBL29646475 0.94 ADORA1 (0.37) SCN9AADORA3ADORA2AADORA1ADORA2B
SCHEMBL22979037 0.94 ADORA1 (0.37) SCN9AADORA3ADORA2AADORA1ADORA2B
SCHEMBL22979210 0.94 ADORA1 (0.37) SCN9AADORA3ADORA2AADORA1ADORA2B
SCHEMBL29648566 0.94 ADORA1 (0.37) SCN9AADORA3ADORA2AADORA1ADORA2B
SCHEMBL22987861 0.91 ADORA3 (0.34) ADORA3ADORA2AADORA1ADORA2BCHEK1
SCHEMBL22988299 0.91 ADORA3 (0.34) ADORA3ADORA2AADORA1ADORA2BCHEK1
SCHEMBL22988397 0.90 ADORA3 (0.32) ADORA3ADORA2AADORA1ADORA2BIRAK1
SCHEMBL22979749 0.90 ADORA3 (0.32) 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 SCN9A 3610/4885ADORA3 34/4885ADORA2A 103/4885

“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.