SCHEMBL22987451

SCHEMBL22987451

Fc1cccc(-c2nc3c4c(Br)cccc4nc(Cl)n3n2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 1/20 0.43
PDE10A Q9Y233 2/20 0.39
ADORA3 P0DMS8 3/20 0.39
CSNK1D P48730 1/20 0.37
MAPT P10636 2/20 0.35
ADORA2A P29274 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
XBP1 P17861 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
ADORA1 P30542 1/20 0.34
LMNA P02545 2/20 0.34
TP53 P04637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
THRB P10828 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
SCHEMBL22988033 0.88 ADORA3 (0.50) AMY1APDE10AADORA3CSNK1DMAPT
SCHEMBL22988035 0.88 ADORA3 (0.41) PDE10AADORA3MAPTADORA2AADORA1
SCHEMBL22987492 0.84 NT5E (0.39) AMY1APDE10AADORA3CSNK1DMAPT
SCHEMBL22987583 0.83 LMNA (0.42) AMY1APDE10AADORA3CSNK1DMAPT
SCHEMBL22987839 0.82 PDE10A (0.39) AMY1APDE10AADORA3CSNK1DMAPT
SCHEMBL22979532 0.81 ADORA3 (0.53) ADORA3MAPTADORA2AADORA1TP53
SCHEMBL29646353 0.81 ADORA3 (0.53) ADORA3MAPTADORA2AADORA1TP53
SCHEMBL22987904 0.81 AMY1A (0.43) AMY1APDE10ACSNK1DMAPTKDM4E
SCHEMBL29450026 0.79 PDE10A (0.43) AMY1APDE10ACSNK1DMAPTADORA2A
SCHEMBL22987455 0.78 ADORA3 (0.46) ADORA3MAPTADORA2AKDM4EALDH1A1

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 AMY1A 4289/4885PDE10A 2410/4885ADORA3 34/4885

“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.