SCHEMBL22987576

SCHEMBL22987576

CS(=O)(=O)c1cccc(-c2nc3c4ccccc4nc(Cl)n3n2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.48
ADORA1 P30542 2/20 0.48
RXFP1 Q9HBX9 2/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 4/20 0.43
THRB P10828 1/20 0.42
POLB P06746 1/20 0.42
NTRK1 P04629 1/20 0.41
MET P08581 1/20 0.41
PIM1 P11309 1/20 0.41
FGFR1 P11362 1/20 0.41
MAP2K2 P36507 1/20 0.41
FLT3 P36888 1/20 0.41
MAPK8 P45983 1/20 0.41
GSK3B P49841 1/20 0.41
NTRK3 Q16288 1/20 0.41
ALK Q9UM73 1/20 0.41
DYRK1B Q9Y463 1/20 0.41

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
SCHEMBL22987571 0.87 ADORA3 (0.51) ADORA3ADORA1MAPTPOLB
SCHEMBL22980034 0.82 RXFP1 (0.61) ADORA3ADORA1RXFP1TP53MAPT
SCHEMBL29646316 0.82 RXFP1 (0.61) ADORA3ADORA1RXFP1TP53MAPT
SCHEMBL22979446 0.82 ADORA3 (0.56) ADORA3ADORA1RXFP1TP53MAPT
SCHEMBL29646467 0.82 ADORA3 (0.56) ADORA3ADORA1RXFP1TP53MAPT
SCHEMBL29646414 0.81 ADORA3 (0.69) ADORA3ADORA1TP53MAPTTHRB
SCHEMBL22979023 0.81 ADORA3 (0.69) ADORA3ADORA1TP53MAPTTHRB
SCHEMBL22979532 0.80 ADORA3 (0.53) ADORA3ADORA1RXFP1TP53MAPT
SCHEMBL22988116 0.80 ADORA3 (0.53) ADORA3ADORA1RXFP1TP53MAPT
SCHEMBL29646353 0.80 ADORA3 (0.53) ADORA3ADORA1RXFP1TP53MAPT

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 34/4885ADORA1 21/4885RXFP1 154/4885

“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.