SCHEMBL48528

SCHEMBL48528

CCNC(=O)Nc1nc(C)c(-c2cccc(S(=O)(=O)NCCCN(C)C)c2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 13/20 0.45
PIK3CG P48736 12/20 0.45
PIK3CA P42336 8/20 0.45
PIK3CB P42338 7/20 0.45
PI4KB Q9UBF8 3/20 0.45
PIK3C3 Q8NEB9 2/20 0.45
PIK3C2A O00443 1/20 0.45
PIK3C2B O00750 1/20 0.45
PI4KA P42356 1/20 0.45
PRKDC P78527 1/20 0.45
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
ABL1 P00519 1/20 0.41
CLK1 P49759 1/20 0.41
CLK2 P49760 1/20 0.41
ALOX15 P16050 1/20 0.40
SFRP1 Q8N474 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL48602 0.90 PIK3CD (0.55) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL48613 0.89 PIK3CD (0.57) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL48631 0.78 PIK3CD (0.70) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL48586 0.76 PIK3CD (0.58) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL49374 0.75 ABL1 (0.50) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL48596 0.74 PIK3CD (0.51) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL48438 0.73 PIK3CD (0.80) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL48707 0.73 PIK3CD (0.59) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL48522 0.73 PIK3CD (0.82) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL1235055 0.72 PIK3CG (0.52) 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 10 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
EP-2311818-B1 Combination of a 5-phenylthiazole compound as PI3 kinase inhibitor with an antiinflammatory, bronchodilatory or antihistamine drug NOVARTIS AG (CH) 2013-01-16 EP disclosed
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
EP-2311818-A1 Combination of a 5-phenylthiazole compound as PI3 kinase inhibitor with an antiinflammatory, bronchodilatory or antihistamine drug Novartis AG (CH) 2011-04-20 EP disclosed
US-20100093690-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS BRUCE IAN 2010-04-15 US disclosed
US-7687637-B2 5-phenylthiazole derivatives and use as Pi3 kinase inhibitors NOVARTIS AG (CH) 2010-03-30 US disclosed
US-20050119320-A1 5-phenylthiazole derivatives and use as pi3 kinase inhibitors NOVARTIS AG (CH) 2005-06-02 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 (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-20100093690-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS PIK3CA, PIK3R5, PIP5K1B PIK3CD 4/4885PIK3CG 8/4885PIK3CA 1/4885
US-20050119320-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.