SCHEMBL2398780

SCHEMBL2398780

Cc1nc(Nc2nnc(CCN3CCOCC3)s2)sc1-c1ccc(S(C)(=O)=O)c(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.53
PIK3CD O00329 12/20 0.53
PIK3CG P48736 11/20 0.53
PIK3CB P42338 10/20 0.53
ALDH1A1 P00352 2/20 0.40
CLK1 P49759 2/20 0.38
NPC1 O15118 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
CNR2 P34972 2/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CLK2 P49760 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
CNR1 P21554 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
SCHEMBL2396722 0.85 PIK3CD (0.57) PIK3CAPIK3CDPIK3CGPIK3CBALDH1A1
SCHEMBL2396822 0.82 PIK3CD (0.62) PIK3CAPIK3CDPIK3CGPIK3CBCLK1
SCHEMBL2398158 0.80 MEN1 (0.48) PIK3CAPIK3CDPIK3CGPIK3CBALDH1A1
SCHEMBL2395488 0.79 PIK3CD (0.58) PIK3CAPIK3CDPIK3CGPIK3CBCLK1
SCHEMBL1784321 0.73 PIK3CD (0.61) PIK3CAPIK3CDPIK3CGPIK3CBALDH1A1
SCHEMBL2396005 0.71 PIK3CD (0.59) PIK3CAPIK3CDPIK3CGPIK3CBCLK1
SCHEMBL2398684 0.70 PIK3CD (0.55) PIK3CAPIK3CDPIK3CGPIK3CBPI4KB
SCHEMBL48634 0.70 PIK3CG (1.00) PIK3CAPIK3CDPIK3CGPIK3CBPI4KB
SCHEMBL2397564 0.70 PIK3CD (0.64) PIK3CAPIK3CDPIK3CGPIK3CBCLK1
SCHEMBL2398905 0.69 PIK3CD (0.63) PIK3CAPIK3CDPIK3CGPIK3CBCLK1

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 PIK3CA 4/4885PIK3CD 42/4885PIK3CG 49/4885

“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.