SCHEMBL22987672

SCHEMBL22987672

FC(F)(F)c1ncccc1-c1nc2c3ccccc3nc(Cl)n2n1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.43
ADORA3 P0DMS8 4/20 0.40
ADORA1 P30542 2/20 0.40
MAPT P10636 4/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
THRB P10828 1/20 0.37
PDE10A Q9Y233 1/20 0.36
RXFP1 Q9HBX9 2/20 0.36
HPGD P15428 1/20 0.35
ELANE P08246 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 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
SCHEMBL29646447 0.83 CYP1A2 (0.48) ADORA3ADORA1MAPTHPGD
SCHEMBL22979486 0.83 CYP1A2 (0.48) ADORA3ADORA1MAPTHPGD
SCHEMBL22980067 0.79 TP53 (0.47) ADORA3ADORA1MAPT
SCHEMBL29646419 0.79 TP53 (0.47) ADORA3ADORA1MAPT
SCHEMBL22979544 0.79 C1R (0.42) ADORA3ADORA1MAPTPDE10AHPGD
SCHEMBL29646400 0.79 C1R (0.42) ADORA3ADORA1MAPTPDE10AHPGD
SCHEMBL29646409 0.79 HPGD (0.51) ADORA3ADORA1MAPTTHRBHPGD
SCHEMBL22987398 0.79 HPGD (0.51) ADORA3ADORA1MAPTTHRBHPGD
SCHEMBL29646096 0.78 DHODH (0.39) DHODHADORA3ADORA1MAPTTHRB
SCHEMBL22988172 0.78 DHODH (0.43) DHODHADORA3ADORA1MAPTTHRB

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 DHODH 1795/4885ADORA3 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.