SCHEMBL48593

SCHEMBL48593

Cc1nc(NC(=O)Cn2cnnn2)sc1-c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.61
PIK3CA P42336 10/20 0.61
PIK3CG P48736 10/20 0.61
PIK3CB P42338 8/20 0.61
ALDH1A1 P00352 3/20 0.56
NPC1 O15118 1/20 0.46
TSHR P16473 1/20 0.46
CLK1 P49759 1/20 0.46
RAB9A P51151 1/20 0.46
PKM P14618 1/20 0.45
CYP2D6 P10635 1/20 0.42
AOC3 Q16853 2/20 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
SCHEMBL27597047 0.77 PIK3CA (0.81) PIK3CDPIK3CAPIK3CGPIK3CBNPC1
SCHEMBL48857 0.77 PIK3CG (1.00) PIK3CDPIK3CAPIK3CGPIK3CBAOC3
SCHEMBL48623 0.76 PIK3CD (0.72) PIK3CDPIK3CAPIK3CGPIK3CBNPC1
SCHEMBL48700 0.75 PIK3CD (0.66) PIK3CDPIK3CAPIK3CGPIK3CBALDH1A1
SCHEMBL1784577 0.72 PIK3CD (0.69) PIK3CDPIK3CAPIK3CGPIK3CBCLK1
SCHEMBL48850 0.72 PIK3CD (0.69) PIK3CDPIK3CAPIK3CGPIK3CBCLK1
SCHEMBL1786172 0.72 PIK3CD (0.65) PIK3CDPIK3CAPIK3CGPIK3CBALDH1A1
SCHEMBL48702 0.72 PIK3CG (0.61) PIK3CDPIK3CAPIK3CGPIK3CBALDH1A1
SCHEMBL48491 0.71 PIK3CD (0.64) PIK3CDPIK3CAPIK3CGPIK3CBALDH1A1
SCHEMBL48518 0.71 PIK3CD (0.64) PIK3CDPIK3CAPIK3CGPIK3CBALDH1A1

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 8 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

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 4/4885PIK3CA 1/4885PIK3CG 8/4885
US-20050119320-A1 5-phenylthiazole derivatives and use as pi3 kinase inhibitors PIK3CA, PIK3R5, PIP5K1B PIK3CD 4/4885PIK3CA 1/4885PIK3CG 8/4885

“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.