SCHEMBL22987613

SCHEMBL22987613

FC(F)(F)Oc1cc(Cl)ccc1-c1nc2c3cccc(Br)c3nc(Cl)n2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.36
ENPP1 P22413 1/20 0.36
MAPT P10636 2/20 0.34
CRHR1 P34998 1/20 0.32
CACNA2D1 P54289 1/20 0.32
CACNA2D2 Q9NY47 1/20 0.32
ADORA3 P0DMS8 2/20 0.31
GRM2 Q14416 2/20 0.31
DDR1 Q08345 1/20 0.31
KDM4E B2RXH2 1/20 0.30
PIK3CD O00329 1/20 0.30
GMNN O75496 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
MAPK1 P28482 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30

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
SCHEMBL22988117 0.89 ENPP3 (0.38) ENPP3ENPP1
SCHEMBL22987612 0.88 ENPP3 (0.39) ENPP3ENPP1MAPTCRHR1KDM4E
SCHEMBL22987642 0.88 HSD11B1 (0.36) CRHR1CACNA2D1CACNA2D2KDM4E
SCHEMBL22987659 0.86 SCN9A (0.34) ENPP3ENPP1MAPTCRHR1ADORA3
SCHEMBL22987584 0.83 ADORA3 (0.40) MAPTADORA3KDM4EPIK3CDGMNN
SCHEMBL22979408 0.81 XDH (0.41) ADORA3DDR1
SCHEMBL29646387 0.81 XDH (0.41) ADORA3DDR1
SCHEMBL29645960 0.80 P2RX7 (0.33) MAPTADORA3DDR1
SCHEMBL22988084 0.79 ADORA3 (0.33) CRHR1ADORA3DDR1ADORA2AADORA2B
SCHEMBL29646067 0.79 ADORA3 (0.33) CRHR1ADORA3DDR1ADORA2AADORA2B

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 ENPP3 4131/4885ENPP1 3540/4885MAPT 4047/4885

“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.