SCHEMBL22987564

SCHEMBL22987564

COc1ccc(-c2nc3c4ccc(C)cc4nc(N[C@@H]4CN(C(=O)OCc5ccccc5)CCNC4=O)n3n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.44
MAPT P10636 3/20 0.41
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
DHODH Q02127 1/20 0.39
MMP9 P14780 3/20 0.38
MMP1 P03956 2/20 0.38
MMP3 P08254 2/20 0.38
MMP7 P09237 1/20 0.38
MMP13 P45452 1/20 0.38
GAA P10253 2/20 0.38
TP53 P04637 1/20 0.36
ALPL P05186 1/20 0.36
ADAM17 P78536 1/20 0.36
ADAM9 Q13443 1/20 0.36

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
SCHEMBL22987525 0.95 ADORA3 (0.45) ADORA3MAPTTHRBSMN1; SMN2ADORA2A
SCHEMBL22987541 0.95 MAPT (0.43) ADORA3MAPTTHRBSMN1; SMN2ADORA2A
SCHEMBL29646384 0.93 MAPT (0.48) ADORA3MAPTTHRBSMN1; SMN2ADORA2A
SCHEMBL22979870 0.93 MAPT (0.48) ADORA3MAPTTHRBSMN1; SMN2ADORA2A
SCHEMBL22987605 0.93 MAPT (0.41) ADORA3MAPTTHRBSMN1; SMN2ADORA2A
SCHEMBL22987566 0.93 MAPT (0.41) ADORA3MAPTTHRBSMN1; SMN2ADORA2A
SCHEMBL22987524 0.92 ADORA3 (0.42) ADORA3MAPTTHRBSMN1; SMN2ADORA2A
SCHEMBL22987539 0.91 MAPT (0.40) ADORA3MAPTTHRBSMN1; SMN2ADORA2A
SCHEMBL29648930 0.90 MAPT (0.45) ADORA3MAPTTHRBSMN1; SMN2ADORA2A
SCHEMBL22987601 0.90 TP53 (0.40) ADORA3MAPTTHRBADORA2AADORA1

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 34/4885MAPT 4047/4885THRB 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.