SCHEMBL22987908

SCHEMBL22987908

COc1ccc(-c2nc3c4cc(OC)c(OC)cc4nc(Cl)n3n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.53
TP53 P04637 3/20 0.51
THRB P10828 1/20 0.51
ADORA1 P30542 3/20 0.50
MAPT P10636 2/20 0.49
RXFP1 Q9HBX9 2/20 0.49
KDM4E B2RXH2 3/20 0.48
POLB P06746 3/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
ALDH1A1 P00352 1/20 0.46
ADORA2A P29274 1/20 0.46
GAA P10253 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL22987910 0.88 ADORA3 (0.60) ADORA3TP53THRBADORA1MAPT
SCHEMBL22988145 0.88 ADORA3 (0.60) ADORA3TP53THRBADORA1MAPT
SCHEMBL22987549 0.85 ADORA3 (0.70) ADORA3THRBADORA1MAPTKDM4E
SCHEMBL22987545 0.84 ADORA3 (0.60) ADORA3TP53THRBADORA1MAPT
SCHEMBL22987411 0.84 ADORA3 (0.60) ADORA3TP53THRBADORA1MAPT
SCHEMBL22987546 0.83 ADORA3 (0.56) ADORA3TP53THRBADORA1MAPT
SCHEMBL22987874 0.83 ADORA3 (0.56) ADORA3TP53THRBADORA1MAPT
SCHEMBL22988063 0.83 ADORA3 (0.56) ADORA3TP53THRBADORA1MAPT
SCHEMBL22987544 0.83 ADORA3 (0.56) ADORA3TP53THRBADORA1MAPT
SCHEMBL22979306 0.82 ADORA3 (0.65) ADORA3THRBADORA1MAPTKDM4E

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 242/4885THRB 1203/4885

“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.