SCHEMBL22979211

SCHEMBL22979211

CCn1cc(-c2nc3c4cccc(S(C)(=O)=O)c4nc(N[C@@H]4CNCCNC4=O)n3n2)c(C)n1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.31
CCNK O75909 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
CDK9 P50750 1/20 0.31
CDK12 Q9NYV4 1/20 0.31
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 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
SCHEMBL29645937 1.00 CCNT1 (0.31) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL22988368 0.90 ADORA2A (0.34) ADORA3ADORA2AADORA1
SCHEMBL29648636 0.90 ADORA2A (0.34) ADORA3ADORA2AADORA1
SCHEMBL22980681 0.89 ADORA2A (0.33) ADORA3ADORA2AADORA1
SCHEMBL29645639 0.89 ADORA2A (0.33) ADORA3ADORA2AADORA1
SCHEMBL22988490 0.88 CCNT1 (0.31) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL22980897 0.88 CCNT1 (0.31) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL22988295 0.83 USP30 (0.33) ADORA3ADORA2AADORA1
SCHEMBL30393564 0.83 USP30 (0.33) ADORA3ADORA2AADORA1
SCHEMBL22979421 0.82 ADORA3 (0.33) CDK2ADORA3ADORA2AADORA1

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 CCNT1 927/4885CCNK 1143/4885CCNE1 662/4885

“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.