SCHEMBL22987587

SCHEMBL22987587

N#Cc1cccc2nc(Cl)n3nc(-c4ccc(F)cc4)nc3c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.39
TP53 P04637 1/20 0.36
CSNK2A1 P68400 1/20 0.35
NR3C1 P04150 1/20 0.35
ADORA1 P30542 3/20 0.34
ADORA2A P29274 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
XDH P47989 1/20 0.34
PDE10A Q9Y233 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
MAPT P10636 2/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
AR P10275 1/20 0.33

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
SCHEMBL22987583 0.89 LMNA (0.42) ADORA3TP53ADORA1ADORA2APDE10A
SCHEMBL22988030 0.85 ADORA3 (0.43) ADORA3TP53CSNK2A1ADORA1ADORA2A
SCHEMBL22987491 0.84 ADORA3 (0.52) ADORA3TP53ADORA1ADORA2ASMN1; SMN2
SCHEMBL22988035 0.82 ADORA3 (0.41) ADORA3TP53ADORA1ADORA2ASMN1; SMN2
SCHEMBL22988032 0.80 CNR1 (0.39) ADORA3
SCHEMBL22987473 0.80 NR1H2 (0.42) ADORA3TP53NR3C1ADORA1ADORA2A
SCHEMBL22979754 0.76 ADORA3 (0.61) ADORA3TP53ADORA1ADORA2AMAPT
SCHEMBL29646319 0.76 ADORA3 (0.61) ADORA3TP53ADORA1ADORA2AMAPT
SCHEMBL22979184 0.75 XDH (0.49) ADORA3TP53CSNK2A1SMN1; SMN2XDH
SCHEMBL29646381 0.75 XDH (0.49) ADORA3TP53CSNK2A1SMN1; SMN2XDH

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 34/4885TP53 242/4885CSNK2A1 1748/4885

“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.