SCHEMBL3096972

SCHEMBL3096972

Cc1nc(C(N)=O)sc1-c1ccc(-n2cccn2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.65
PIK3CA P42336 3/20 0.65
PIK3CB P42338 3/20 0.65
PIK3CG P48736 3/20 0.65
PI4KB Q9UBF8 2/20 0.55
DYRK3 O43781 1/20 0.48
MAP4K4 O95819 1/20 0.48
CLK2 P49760 1/20 0.48
DYRK1A Q13627 1/20 0.48
MINK1 Q8N4C8 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA5A P35218 1/20 0.44
CA9 Q16790 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
MGLL Q99685 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL3087897 0.81 PIK3CD (0.61) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL27770289 0.78 CA12 (0.48) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL688062 0.76 CDC7 (0.46) PIK3CDPIK3CAPIK3CBPIK3CGKDM4E
SCHEMBL2958703 0.73 PIK3CD (0.59) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL13149663 0.73 PIK3CD (0.72) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL3093242 0.72 PIK3CD (0.54) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL3377969 0.71 BCAT2 (0.54) PIK3CDPIK3CAPIK3CBPIK3CGMGLL
SCHEMBL323044 0.71 NOTUM (0.55) MAP4K4MGLLKDM4EALDH1A1MAPK1
SCHEMBL3342457 0.70 LRRK2 (0.47) PIK3CDPIK3CAPIK3CBPIK3CGKDM4E
SCHEMBL10365452 0.70 CYP3A4 (0.38) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799810-B2 Organic compounds NOVARTIS AG (CH) 2010-09-21 US disclosed
US-20100120865-A1 Organic compounds NOVARTIS AG (CH) 2010-05-13 US disclosed
EP-2035413-A2 THIAZOLYL UREA DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS Novartis AG (CH) 2009-03-18 EP disclosed
WO-2008000421-A2 THIAZOLYL UREA DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NOVARTIS AG (CH) 2008-01-03 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-20100120865-A1 Organic compounds PIK3C3, PIK3R3, PIK3R4 PIK3CD 10/4885PIK3CA 5/4885PIK3CB 11/4885

“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.