SCHEMBL3115274

SCHEMBL3115274

CCCS(=O)(=O)Nc1cc(Br)cnc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.41
PTGS2 P35354 1/20 0.41
PIK3CD O00329 2/20 0.40
PIK3CA P42336 2/20 0.40
PIK3CB P42338 2/20 0.40
PIK3CG P48736 2/20 0.40
BRAF P15056 9/20 0.39
BRD4 O60885 1/20 0.39
EDNRB P24530 1/20 0.38
EDNRA P25101 1/20 0.38
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
BMPR1B O00238 1/20 0.38
PLK4 O00444 1/20 0.38
PIR O00625 1/20 0.38
AURKA O14965 1/20 0.38
DCLK1 O15075 1/20 0.38
EPHB6 O15197 1/20 0.38
RIPK2 O43353 1/20 0.38
STK16 O75716 1/20 0.38

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
SCHEMBL3114091 0.89 PIK3CG (0.43) PTGS1PTGS2PIK3CDPIK3CAPIK3CB
SCHEMBL27863371 0.82 PIK3CD (0.47) PTGS1PTGS2PIK3CDPIK3CAPIK3CB
SCHEMBL16551863 0.80 PIK3CA (0.47) PTGS1PTGS2PIK3CDPIK3CAPIK3CB
SCHEMBL458986 0.80 PIK3CA (0.60) PTGS1PTGS2PIK3CDPIK3CAPIK3CB
SCHEMBL21630356 0.77 LMNA (0.51) PTGS1PTGS2BRAFEDNRBEDNRA
SCHEMBL27906678 0.76 PIK3CD (0.42) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL20523637 0.76 BRD4 (0.41) PTGS1PTGS2BRAFBRD4ALDH1A1
SCHEMBL381072 0.76 PIK3CA (0.46) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL114958 0.75 PIK3CA (0.41) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL28556859 0.74 GSK3A (0.40) PTGS1PTGS2PIK3CDPIK3CAPIK3CB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179144-A1 QUINAZOLINE DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2010-07-15 US disclosed
US-20100179144-A1 QUINAZOLINE DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2010-07-15 US disclosed
US-20100179144-A1 QUINAZOLINE DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2010-07-15 US disclosed
US-20090018131-A1 QUINAZOLINE DERIVATIVES AS P13 KINASE INHIBITORS ADAMS NICHOLAS D 2009-01-15 US disclosed
US-20090018131-A1 QUINAZOLINE DERIVATIVES AS P13 KINASE INHIBITORS ADAMS NICHOLAS D 2009-01-15 US disclosed
US-20090018131-A1 QUINAZOLINE DERIVATIVES AS P13 KINASE INHIBITORS ADAMS NICHOLAS D 2009-01-15 US 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 (2 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-20100179144-A1 QUINAZOLINE DERIVATIVES AS P13 KINASE INHIBITORS JAK3, PI4KA, AKT3 PTGS1 1651/4885PTGS2 2550/4885PIK3CD 14/4885
US-20090018131-A1 QUINAZOLINE DERIVATIVES AS P13 KINASE INHIBITORS JAK3, PI4KA, AKT3 PTGS1 1651/4885PTGS2 2550/4885PIK3CD 14/4885

“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.