SCHEMBL48594

SCHEMBL48594

Cc1nc(NC(=O)NCCc2ccccn2)sc1-c1ccc(S(C)(=O)=O)c(F)c1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 16/20 0.66
PIK3CG P48736 15/20 0.66
PIK3CA P42336 13/20 0.66
PIK3CB P42338 11/20 0.66
PI4KB Q9UBF8 4/20 0.66
CLK1 P49759 1/20 0.66
CLK2 P49760 1/20 0.66
PIK3C3 Q8NEB9 2/20 0.42
PIK3C2A O00443 1/20 0.42
PIK3C2B O00750 1/20 0.42
PI4KA P42356 1/20 0.42
PRKDC P78527 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
CNR1 P21554 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 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
SCHEMBL48530 0.92 PIK3CD (0.65) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL1789768 0.86 PIK3CD (0.65) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL1783539 0.85 PIK3CG (0.66) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL48832 0.85 PIK3CD (0.75) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL1786677 0.84 PIK3CG (0.70) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL5783476 0.84 PIK3CD (0.65) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL48639 0.84 PIK3CG (0.65) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL1789286 0.84 PIK3CD (0.67) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL1787450 0.83 PIK3CD (0.66) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL49031 0.83 PIK3CD (0.73) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1480962-B1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS NOVARTIS AG (CH) 2011-08-24 EP claimed
US-8129541-B2 5-phenylthiazole derivatives and use as PI3 kinase inhibitors NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-1480962-B1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS NOVARTIS AG (CH) 2011-08-24 EP disclosed
US-20100093690-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS BRUCE IAN 2010-04-15 US disclosed
EP-1480962-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS Novartis AG (CH) 2004-12-01 EP disclosed
WO-2003072557-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS NOVARTIS AG (CH) 2003-09-04 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-20100093690-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS PIK3CA, PIK3R5, PIP5K1B PIK3CD 4/4885PIK3CG 8/4885PIK3CA 1/4885

“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.