SCHEMBL22987659

SCHEMBL22987659

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.34
MAPT P10636 3/20 0.34
CRHR1 P34998 1/20 0.32
ADORA3 P0DMS8 2/20 0.31
KMT2A Q03164 2/20 0.31
ADORA2A P29274 2/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HBB P68871 1/20 0.31
ENPP3 O14638 1/20 0.31
ENPP1 P22413 1/20 0.31
GRM2 Q14416 2/20 0.31
P2RX7 Q99572 1/20 0.30
KDM4E B2RXH2 1/20 0.30
PIK3CD O00329 1/20 0.30
GMNN O75496 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
SCHEMBL22987643 0.86 HSD11B1 (0.35) SCN9AMAPTCRHR1KMT2AMEN1
SCHEMBL22987613 0.86 ENPP3 (0.36) MAPTCRHR1ADORA3KMT2AADORA2A
SCHEMBL22987591 0.83 ADORA3 (0.40) MAPTADORA3KMT2AADORA2AKDM4E
SCHEMBL22988092 0.81 XDH (0.41) ADORA3
SCHEMBL29645564 0.80 P2RX7 (0.37) SCN9AADORA3P2RX7
SCHEMBL22979374 0.79 ADORA3 (0.34) SCN9ACRHR1ADORA3ADORA2AP2RX7
SCHEMBL29645706 0.79 ADORA3 (0.34) SCN9ACRHR1ADORA3ADORA2AP2RX7
SCHEMBL25118873 0.79 ADORA3 (0.34) SCN9ACRHR1ADORA3ADORA2AP2RX7
SCHEMBL22979372 0.79 ADORA3 (0.34) SCN9ACRHR1ADORA3ADORA2AP2RX7
SCHEMBL29645583 0.79 ADORA3 (0.34) SCN9ACRHR1ADORA3ADORA2AP2RX7

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 SCN9A 3610/4885MAPT 4047/4885CRHR1 896/4885

“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.