SCHEMBL22979870

SCHEMBL22979870

COc1ccc(-c2nc3c4ccccc4nc(NC4CN(C(=O)OCc5ccccc5)CCNC4=O)n3n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.48
THRB P10828 1/20 0.48
ADORA3 P0DMS8 5/20 0.43
GAA P10253 4/20 0.42
TP53 P04637 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALPL P05186 2/20 0.42
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
HCRTR1 O43613 2/20 0.41
KMT2A Q03164 2/20 0.41
MMP1 P03956 2/20 0.41
MMP3 P08254 2/20 0.41
MMP9 P14780 2/20 0.41
MMP7 P09237 1/20 0.41
MMP13 P45452 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.40
HTT P42858 1/20 0.39

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
SCHEMBL29646384 1.00 MAPT (0.48) MAPTTHRBADORA3GAATP53
SCHEMBL29648930 0.96 MAPT (0.45) MAPTTHRBADORA3GAATP53
SCHEMBL22987541 0.95 MAPT (0.43) MAPTTHRBADORA3GAATP53
SCHEMBL22987524 0.94 ADORA3 (0.42) MAPTTHRBADORA3SMN1; SMN2ADORA2A
SCHEMBL22987564 0.93 ADORA3 (0.44) MAPTTHRBADORA3GAATP53
SCHEMBL22987447 0.93 MAPT (0.43) MAPTTHRBADORA3GAATP53
SCHEMBL22987605 0.93 MAPT (0.41) MAPTTHRBADORA3GAATP53
SCHEMBL22987566 0.93 MAPT (0.41) MAPTTHRBADORA3GAATP53
SCHEMBL22987525 0.93 ADORA3 (0.45) MAPTTHRBADORA3GAASMN1; SMN2
SCHEMBL22979112 0.92 MAPT (0.49) MAPTTHRBGAATP53SMN1; SMN2

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 4 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
EP-4013508-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES Bayer Aktiengesellschaft (DE) 2022-06-22 EP disclosed
WO-2021028382-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2021-02-18 WO 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 MAPT 4047/4885THRB 1203/4885ADORA3 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.