SCHEMBL22987977

SCHEMBL22987977

Fc1ccc(-c2nc3c4cccc(Br)c4nc(Cl)n3n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
ADORA3 P0DMS8 8/20 0.43
ADORA1 P30542 5/20 0.41
ADORA2A P29274 4/20 0.41
XDH P47989 1/20 0.40
AHR P35869 2/20 0.38
GRM2 Q14416 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ENPP3 O14638 1/20 0.36
ENPP1 P22413 1/20 0.36
ADORA2B P29275 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 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
SCHEMBL30393569 0.90 ADORA3 (0.45) ADORA3ADORA1ADORA2AXDHAHR
SCHEMBL22987774 0.90 ADORA3 (0.45) ADORA3ADORA1ADORA2AXDHAHR
SCHEMBL22987904 0.88 AMY1A (0.43) TP53XDHRXFP1
SCHEMBL22988176 0.87 TP53 (0.46) TP53ADORA3ADORA1ADORA2AXDH
SCHEMBL22988024 0.87 TP53 (0.46) TP53ADORA3ADORA1ADORA2AXDH
SCHEMBL22988119 0.86 CDC7 (0.40) TP53ADORA3ADORA1AHRRXFP1
SCHEMBL22979677 0.84 KDM4E (0.50) TP53ADORA3ADORA1ADORA2AXDH
SCHEMBL22987508 0.84 AHR (0.38) TP53ADORA3ADORA1ADORA2AAHR
SCHEMBL22987540 0.84 TP53 (0.42) TP53ADORA3ADORA1ADORA2AXDH
SCHEMBL22987510 0.83 NR1H2 (0.50) TP53ADORA3ADORA1ADORA2AXDH

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 34/4885ADORA1 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.