SCHEMBL22987582

SCHEMBL22987582

FC(F)C(F)(F)Oc1ccccc1-c1nc2c3ccccc3nc(Cl)n2n1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 9/20 0.40
ADORA1 P30542 2/20 0.40
HPGD P15428 1/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 4/20 0.36
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL29646400 0.90 C1R (0.42) ADORA3ADORA1HPGDMAPT
SCHEMBL22979544 0.90 C1R (0.42) ADORA3ADORA1HPGDMAPT
SCHEMBL22987859 0.85 ADORA3 (0.42) ADORA3ADORA1HPGDTP53MAPT
SCHEMBL25118631 0.82 CYP1A2 (0.49) ADORA3ADORA1TP53MAPTTHRB
SCHEMBL29646374 0.82 CYP1A2 (0.49) ADORA3ADORA1TP53MAPTTHRB
SCHEMBL22988173 0.81 ADORA3 (0.41) ADORA3ADORA1TP53MAPTTHRB
SCHEMBL22987590 0.80 ADORA3 (0.41) ADORA3ADORA1TP53MAPT
SCHEMBL22987958 0.80 ADORA3 (0.39) ADORA3ADORA1TP53MAPT
SCHEMBL22979486 0.80 CYP1A2 (0.48) ADORA3ADORA1HPGDTP53MAPT
SCHEMBL29646447 0.80 CYP1A2 (0.48) ADORA3ADORA1HPGDTP53MAPT

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 34/4885ADORA1 21/4885HPGD 568/4885

“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.