SCHEMBL22988089

SCHEMBL22988089

COc1cccc2c1nc(Cl)n1nc(-c3cn[nH]c3)nc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.41
TNKS O95271 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ADORA2A P29274 10/20 0.38
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
POLB P06746 1/20 0.36
ADORA2B P29275 1/20 0.36
TP53 P04637 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
SCHEMBL22987675 0.83 EGFR (0.38) ADORA2AROCK2ROCK1
SCHEMBL22987552 0.83 KDM4E (0.51) HSP90AB1TNKSTNKS2KDM4EALDH1A1
SCHEMBL22979629 0.81 PIK3CD (0.37) ADORA2A
SCHEMBL22987792 0.81 HSP90AB1 (0.43) HSP90AB1ADORA2AADORA2B
SCHEMBL22988090 0.79 HSP90AB1 (0.45) HSP90AB1KDM4EALDH1A1ADORA2APOLB
SCHEMBL22979908 0.79 ADORA3 (0.50) POLBTP53
SCHEMBL30392300 0.79 MAPT (0.41) HSP90AB1ROCK2ROCK1POLB
SCHEMBL22987764 0.77 ADORA2A (0.41) HSP90AB1ADORA2AADORA2B
SCHEMBL22988258 0.77 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL29645807 0.76 TP53 (0.39) TNKSTNKS2PARP2KDM4EALDH1A1

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 HSP90AB1 2893/4885TNKS 230/4885TNKS2 502/4885

“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.