SCHEMBL22988063

SCHEMBL22988063

COc1ccc(-c2nc3c4cc(Br)ccc4nc(Cl)n3n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 11/20 0.56
ADORA1 P30542 4/20 0.51
MAPT P10636 2/20 0.46
THRB P10828 1/20 0.46
ADORA2A P29274 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.45
XDH P47989 1/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CSNK1A1 P48729 1/20 0.42
CSNK1D P48730 1/20 0.42
CSNK1E P49674 1/20 0.42

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
SCHEMBL22987546 0.91 ADORA3 (0.56) ADORA3ADORA1MAPTTHRBADORA2A
SCHEMBL22988145 0.90 ADORA3 (0.60) ADORA3ADORA1MAPTTHRBADORA2A
SCHEMBL22987549 0.88 ADORA3 (0.70) ADORA3ADORA1MAPTTHRBADORA2A
SCHEMBL22987411 0.87 ADORA3 (0.60) ADORA3ADORA1MAPTTHRBADORA2A
SCHEMBL22987544 0.86 ADORA3 (0.56) ADORA3ADORA1MAPTTHRBADORA2A
SCHEMBL22988146 0.84 ADORA3 (0.53) ADORA3ADORA1MAPTTHRBADORA2A
SCHEMBL22987908 0.83 ADORA3 (0.53) ADORA3ADORA1MAPTTHRBADORA2A
SCHEMBL22988175 0.83 ADORA3 (0.53) ADORA3ADORA1MAPTTHRBADORA2A
SCHEMBL22987910 0.83 ADORA3 (0.60) ADORA3ADORA1MAPTTHRBADORA2A
SCHEMBL22979306 0.83 ADORA3 (0.65) ADORA3ADORA1MAPTTHRBADORA2A

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 21/4885MAPT 4047/4885

“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.