SCHEMBL48676

SCHEMBL48676

CCOC(=O)CCNC(=O)Nc1nc(C)c(-c2ccc(S(=O)(=O)N(C)C)cc2)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 9/20 0.53
PIK3CA P42336 8/20 0.53
PIK3CB P42338 8/20 0.53
PIK3CG P48736 8/20 0.53
ALDH1A1 P00352 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
RXFP1 Q9HBX9 1/20 0.52
PI4KB Q9UBF8 6/20 0.51
KDM4E B2RXH2 3/20 0.45
LMNA P02545 3/20 0.45
HPGD P15428 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
CLK2 P49760 2/20 0.43
DYRK3 O43781 1/20 0.43
MAP4K4 O95819 1/20 0.43
DYRK1A Q13627 1/20 0.43
MINK1 Q8N4C8 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
CLK1 P49759 1/20 0.42

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
SCHEMBL48464 0.90 ALDH1A1 (0.53) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL48519 0.89 PIK3CD (0.61) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL48699 0.88 PIK3CD (0.54) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL48692 0.84 PIK3CD (0.49) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL1883394 0.83 PIK3CG (0.54) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL48672 0.82 PIK3CD (0.53) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL48707 0.80 PIK3CD (0.59) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL48491 0.79 PIK3CD (0.64) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL48948 0.79 PIK3CD (0.64) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL2339914 0.79 PIK3CD (0.82) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB

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 4/4885PIK3CA 1/4885PIK3CB 9/4885
US-20050119320-A1 5-phenylthiazole derivatives and use as pi3 kinase inhibitors PIK3CA, PIK3R5, PIP5K1B PIK3CD 4/4885PIK3CA 1/4885PIK3CB 9/4885

“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.