SCHEMBL3114091

SCHEMBL3114091

CCS(=O)(=O)Nc1cc(Br)cnc1Cl

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 8/20 0.43
PIK3CD O00329 7/20 0.43
PIK3CA P42336 6/20 0.43
PIK3CB P42338 6/20 0.43
ALPL P05186 1/20 0.41
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 4/20 0.39
NPSR1 Q6W5P4 2/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
POLB P06746 1/20 0.37
PSIP1 O75475 1/20 0.37
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
BRD4 O60885 1/20 0.35

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
SCHEMBL3115274 0.89 PTGS1 (0.41) PIK3CGPIK3CDPIK3CAPIK3CBALPL
SCHEMBL458986 0.83 PIK3CA (0.60) PIK3CGPIK3CDPIK3CAPIK3CBALPL
SCHEMBL19748091 0.81 PSIP1 (0.44) KMT2AMEN1ALDH1A1PTGS1PTGS2
SCHEMBL27906678 0.80 PIK3CD (0.42) PIK3CGPIK3CDPIK3CAPIK3CBALPL
SCHEMBL381072 0.79 PIK3CA (0.46) PIK3CGPIK3CDPIK3CAPIK3CBALPL
SCHEMBL114958 0.78 PIK3CA (0.41) PIK3CGPIK3CDPIK3CAPIK3CBALPL
SCHEMBL17969358 0.78 HPGD (0.44) PIK3CGPIK3CDPIK3CAPIK3CBKMT2A
SCHEMBL16461243 0.76 SLC22A12 (0.48) PIK3CGPIK3CDPIK3CAPIK3CBPTGS1
SCHEMBL2066885 0.76 PIK3CG (0.36) PIK3CGKMT2AMEN1ALDH1A1NPSR1
SCHEMBL29104520 0.76 PTGS1 (0.36) PIK3CAKMT2AMEN1ALDH1A1PTGS1

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 PIK3CG 21/4885PIK3CD 14/4885PIK3CA 18/4885
US-20090018131-A1 QUINAZOLINE DERIVATIVES AS P13 KINASE INHIBITORS JAK3, PI4KA, AKT3 PIK3CG 21/4885PIK3CD 14/4885PIK3CA 18/4885

“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.