SCHEMBL22988035

SCHEMBL22988035

Fc1ccc(-c2nc3c4c(Br)cccc4nc(Cl)n3n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.41
AHR P35869 4/20 0.38
TP53 P04637 1/20 0.38
ADORA1 P30542 3/20 0.36
ADORA2A P29274 2/20 0.36
PDE10A Q9Y233 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
XDH P47989 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL22987451 0.88 AMY1A (0.43) ADORA3TP53ADORA1ADORA2APDE10A
SCHEMBL22987491 0.87 ADORA3 (0.52) ADORA3TP53ADORA1ADORA2ANPC1
SCHEMBL22987455 0.84 ADORA3 (0.46) ADORA3TP53ADORA1ADORA2ANPC1
SCHEMBL22987473 0.83 NR1H2 (0.42) ADORA3TP53ADORA1ADORA2APDE10A
SCHEMBL22987587 0.82 ADORA3 (0.39) ADORA3TP53ADORA1ADORA2APDE10A
SCHEMBL22987977 0.80 TP53 (0.47) ADORA3AHRTP53ADORA1ADORA2A
SCHEMBL22979754 0.79 ADORA3 (0.61) ADORA3TP53ADORA1ADORA2ARXFP1
SCHEMBL29646319 0.79 ADORA3 (0.61) ADORA3TP53ADORA1ADORA2ARXFP1
SCHEMBL22987454 0.79 ADORA3 (0.38) ADORA3ADORA1ADORA2APDE10ARXFP1
SCHEMBL29450035 0.76 TOP1 (0.43) ADORA3TP53ADORA1ADORA2APDE10A

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 34/4885AHR 1/4885TP53 242/4885

“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.