SCHEMBL22987540

SCHEMBL22987540

Fc1ccc(-c2nc3c4cc(Br)cc(Br)c4nc(Cl)n3n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
ADORA3 P0DMS8 10/20 0.40
ADORA2A P29274 5/20 0.40
ADORA1 P30542 5/20 0.40
XDH P47989 1/20 0.40
AHR P35869 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADORA2B P29275 1/20 0.36

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
SCHEMBL22987536 0.87 AMY1A (0.44) TP53ADORA3
SCHEMBL22987534 0.85 ADORA3 (0.48) TP53ADORA3ADORA2AADORA1XDH
SCHEMBL22987977 0.84 TP53 (0.47) TP53ADORA3ADORA2AADORA1XDH
SCHEMBL22987515 0.78 AXL (0.37) ADORA3ADORA2AADORA1
SCHEMBL30393320 0.77 AHR (0.45) TP53ADORA3ADORA2AADORA1XDH
SCHEMBL30393569 0.76 ADORA3 (0.45) ADORA3ADORA2AADORA1XDHAHR
SCHEMBL22987774 0.76 ADORA3 (0.45) ADORA3ADORA2AADORA1XDHAHR
SCHEMBL22988176 0.76 TP53 (0.46) TP53ADORA3ADORA2AADORA1XDH
SCHEMBL22988024 0.76 TP53 (0.46) TP53ADORA3ADORA2AADORA1XDH
SCHEMBL31025614 0.76 ADORA3 (0.42) TP53ADORA3ADORA2AADORA1XDH

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 2 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
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 TP53 242/4885ADORA3 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.