SCHEMBL22987950

SCHEMBL22987950

CS(=O)(=O)c1ccc(-c2nc3c4cccc(Br)c4nc(Cl)n3n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.36
KDM1A O60341 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
ALOX5 P09917 1/20 0.35
ADORA3 P0DMS8 2/20 0.35
MAPT P10636 1/20 0.35
HSD11B1 P28845 1/20 0.35
JAK2 O60674 3/20 0.35
JAK3 P52333 2/20 0.35
PTK2 Q05397 2/20 0.35
THRB P10828 1/20 0.35
AHR P35869 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL22987774 0.85 ADORA3 (0.45) ADORA3MAPTAHR
SCHEMBL30393569 0.85 ADORA3 (0.45) ADORA3MAPTAHR
SCHEMBL22987977 0.82 TP53 (0.47) TP53RXFP1ADORA3AHR
SCHEMBL22979677 0.82 KDM4E (0.50) TP53SMN1; SMN2ADORA3MAPTTHRB
SCHEMBL22987571 0.81 ADORA3 (0.51) KDM1AADORA3MAPTPOLB
SCHEMBL22988119 0.81 CDC7 (0.40) TP53RXFP1ADORA3MAPTTHRB
SCHEMBL22987508 0.80 AHR (0.38) TP53SMN1; SMN2RXFP1ADORA3MAPT
SCHEMBL29645976 0.77 KDM1A (0.36) TP53KDM1ASMN1; SMN2RXFP1ALOX5
SCHEMBL22987649 0.77 TP53 (0.50) TP53SMN1; SMN2RXFP1KDM4EALDH1A1
SCHEMBL22979176 0.76 ADORA3 (0.39) KDM1ARXFP1ADORA3

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 TP53 242/4885KDM1A 394/4885SMN1; SMN2 4234/4885

“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.