SCHEMBL22987615

SCHEMBL22987615

CCn1cc(-c2nc3c4cccc(C(F)(F)F)c4nc(Cl)n3n2)c(C)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.36
ADORA2A P29274 4/20 0.36
ADORA1 P30542 4/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.35
CASP1 P29466 1/20 0.35
KMT2A Q03164 1/20 0.35
ESR2 Q92731 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RECQL P46063 1/20 0.35
COMT P21964 1/20 0.34
ADORA2B P29275 2/20 0.33
CYP1A2 P05177 1/20 0.33
LRRK2 Q5S007 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NR1H2 P55055 5/20 0.32
NR1H3 Q13133 5/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL30392927 0.87 HSP90AB1 (0.42) ADORA3ADORA2AADORA1KDM4EALDH1A1
SCHEMBL22988101 0.87 HSP90AB1 (0.42) ADORA3ADORA2AADORA1KDM4EALDH1A1
SCHEMBL22987632 0.86 ADORA3 (0.40) ADORA3ADORA2AADORA1ALDH1A1L3MBTL1
SCHEMBL22987758 0.85 ALDH1A1 (0.40) ADORA3ADORA2AADORA1KDM4EALDH1A1
SCHEMBL22987811 0.84 ADORA3 (0.36) ADORA3ADORA2AADORA1KDM4EALDH1A1
SCHEMBL30393466 0.84 ADORA3 (0.36) ADORA3ADORA2AADORA1KDM4EALDH1A1
SCHEMBL22987691 0.84 ALDH1A1 (0.35) ADORA3ADORA2AADORA1ALDH1A1CYP1A2
SCHEMBL22987794 0.84 KDM4E (0.43) ADORA3ADORA2AADORA1KDM4EALDH1A1
SCHEMBL22987690 0.83 ADORA3 (0.35) ADORA3ADORA2AADORA1KDM4EALDH1A1
SCHEMBL22987611 0.82 ADORA3 (0.38) ADORA3ADORA2AADORA1KDM4EALDH1A1

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 34/4885ADORA2A 103/4885ADORA1 21/4885

“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.