SCHEMBL2396822

SCHEMBL2396822

Cc1nc(Nc2nnc(CCC(=O)O)s2)sc1-c1ccc(S(C)(=O)=O)c(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 15/20 0.62
PIK3CG P48736 14/20 0.62
PIK3CA P42336 12/20 0.62
PIK3CB P42338 10/20 0.62
PI4KB Q9UBF8 4/20 0.41
CLK1 P49759 1/20 0.41
CLK2 P49760 1/20 0.41
ABCB11 O95342 1/20 0.36
GPR52 Q9Y2T5 1/20 0.36
PIK3C3 Q8NEB9 2/20 0.35
PIK3C2A O00443 1/20 0.35
PIK3C2B O00750 1/20 0.35
PI4KA P42356 1/20 0.35
PRKDC P78527 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
SCHEMBL2398780 0.82 PIK3CA (0.53) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL2396005 0.78 PIK3CD (0.59) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL2398392 0.78 PIK3CD (0.57) PIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL48634 0.77 PIK3CG (1.00) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL2395488 0.76 PIK3CD (0.58) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL2396722 0.75 PIK3CD (0.57) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL27637489 0.75 PIK3CD (0.61) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL48770 0.75 PIK3CD (0.75) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL1786468 0.74 PIK3CD (0.74) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL5061448 0.74 PIK3CD (0.70) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8017608-B2 5-Phenylthiazole derivatives and their use as p13 kinase inhibitors NOVARTIS AG (CH) 2011-09-13 US disclosed
EP-1608647-B1 5-PHENYLTHIAZOLE DERIVATIVES AND THEIR USE AS P13 KINASE INHIBITORS NOVARTIS AG (CH) 2008-01-09 EP disclosed
US-20060148822-A1 5-Phenylthiazole derivatives and their use as p13 kinase inhibitors NOVARTIS AG (CH) 2006-07-06 US disclosed
EP-1608647-A1 5-PHENYLTHIAZOLE DERIVATIVES AND THEIR USE AS P13 KINASE INHIBITORS Novartis AG (CH) 2005-12-28 EP disclosed
WO-2004078754-A1 5-PHENYLTHIAZOLE DERIVATIVES AND THEIR USE AS P13 KINASE INHIBITORS NOVARTIS AG (CH) 2004-09-16 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-20060148822-A1 5-Phenylthiazole derivatives and their use as p13 kinase inhibitors MAP3K13, AKT3, MAP3K3 PIK3CD 42/4885PIK3CG 49/4885PIK3CA 4/4885

“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.