SCHEMBL22987644

SCHEMBL22987644

FC(F)n1cc(-c2nc3c4cccc(Br)c4nc(Cl)n3n2)cn1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.32
ENPP1 P22413 1/20 0.32
TP53 P04637 1/20 0.32
ADORA3 P0DMS8 3/20 0.31
ADORA1 P30542 3/20 0.31
ADORA2A P29274 3/20 0.31
RXFP1 Q9HBX9 1/20 0.30
XDH P47989 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
SCHEMBL22988085 0.89 ADORA3 (0.33) ADORA3ADORA1ADORA2A
SCHEMBL22988248 0.85 HSP90AA1 (0.35) ADORA3ADORA1ADORA2A
SCHEMBL29646457 0.85 PIK3CD (0.33) ADORA3ADORA1ADORA2A
SCHEMBL22979970 0.85 PIK3CD (0.33) ADORA3ADORA1ADORA2A
SCHEMBL22979176 0.84 ADORA3 (0.39) ADORA3ADORA1ADORA2ARXFP1
SCHEMBL22987770 0.81 ADORA3 (0.39) ADORA3ADORA1ADORA2A
SCHEMBL22988260 0.79 ABCB1 (0.35) TP53ADORA3ADORA1ADORA2A
SCHEMBL22987977 0.78 TP53 (0.47) ENPP3ENPP1TP53ADORA3ADORA1
SCHEMBL22987761 0.78 PIK3CD (0.35) ADORA3ADORA1ADORA2A
SCHEMBL22987760 0.78 CLK2 (0.34) ADORA3ADORA1ADORA2ARXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230113037-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2023-04-13 US disclosed
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 ENPP3 4131/4885ENPP1 3540/4885TP53 242/4885

“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.