SCHEMBL22987474

SCHEMBL22987474

COc1ccc(-c2nc3c4c(C(F)(F)F)cccc4nc(Cl)n3n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 9/20 0.43
ADORA1 P30542 4/20 0.43
POLB P06746 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.39
THRB P10828 1/20 0.39
PDE10A Q9Y233 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAOB P27338 1/20 0.38
ADORA2A P29274 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.38
STAT3 P40763 1/20 0.38

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
SCHEMBL22987473 0.86 NR1H2 (0.42) ADORA3ADORA1PDE10AADORA2ASMN1; SMN2
SCHEMBL22988034 0.85 MAOB (0.52) ADORA3ADORA1POLBKDM4EALDH1A1
SCHEMBL22987559 0.84 ADORA3 (0.47) ADORA3ADORA1POLBKDM4EALDH1A1
SCHEMBL22987867 0.84 ADORA3 (0.47) ADORA3ADORA1POLBKDM4EALDH1A1
SCHEMBL22987660 0.83 POLB (0.48) ADORA3ADORA1POLBRXFP1TDP1
SCHEMBL22987455 0.83 ADORA3 (0.46) ADORA3ADORA1POLBKDM4EALDH1A1
SCHEMBL22988030 0.80 ADORA3 (0.43) ADORA3ADORA1POLBKDM4EALDH1A1
SCHEMBL22987492 0.80 NT5E (0.39) ADORA3KDM4EALDH1A1MAPTPDE10A
SCHEMBL22987840 0.80 ADORA3 (0.43) ADORA3ADORA1POLBKDM4EALDH1A1
SCHEMBL22987472 0.80 PDE10A (0.39) ADORA3ADORA1PDE10AADORA2A

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 34/4885ADORA1 21/4885POLB 4033/4885

“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.