SCHEMBL22987963

SCHEMBL22987963

COc1ccc(-c2nc3c4ccccc4nc(Cl)n3n2)c(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.43
MAPT P10636 2/20 0.42
THRB P10828 2/20 0.42
USP1 O94782 2/20 0.42
WDR48 Q8TAF3 2/20 0.42
HSP90AB1 P08238 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RXFP1 Q9HBX9 1/20 0.39
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ACHE P22303 2/20 0.38
ACP1 P24666 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL22987666 0.87 HSP90AB1 (0.43) ADORA3MAPTTHRBHSP90AB1SMN1; SMN2
SCHEMBL29646447 0.83 CYP1A2 (0.48) ADORA3MAPTUSP1WDR48HPGD
SCHEMBL22979486 0.83 CYP1A2 (0.48) ADORA3MAPTUSP1WDR48HPGD
SCHEMBL22979306 0.79 ADORA3 (0.65) ADORA3MAPTTHRBKDM4EALDH1A1
SCHEMBL25118631 0.79 CYP1A2 (0.49) ADORA3MAPTTHRBSMN1; SMN2KDM4E
SCHEMBL29646374 0.79 CYP1A2 (0.49) ADORA3MAPTTHRBSMN1; SMN2KDM4E
SCHEMBL29646439 0.79 ADORA3 (0.65) ADORA3MAPTTHRBKDM4EALDH1A1
SCHEMBL29645588 0.78 MAPT (0.43) ADORA3MAPTTHRBUSP1WDR48
SCHEMBL22979197 0.78 MAPT (0.57) ADORA3MAPTTHRBSMN1; SMN2ALDH1A1
SCHEMBL29646448 0.78 MAPT (0.57) ADORA3MAPTTHRBSMN1; SMN2ALDH1A1

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 ADORA3 34/4885MAPT 4047/4885THRB 1203/4885

“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.