SCHEMBL1027127

SCHEMBL1027127

NC(=O)c1cc(-c2cc(N3CCOCC3)nc(NCCc3cccnc3)n2)c2cc[nH]c2c1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.68
ATR Q13535 2/20 0.48
PIK3CB P42338 3/20 0.44
NAPEPLD Q6IQ20 1/20 0.44
PIK3CG P48736 2/20 0.43
RAF1 P04049 1/20 0.41
BRAF P15056 1/20 0.41
OGA O60502 1/20 0.41
EGLN1 Q9GZT9 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
SCHEMBL1026996 0.94 PIK3CA (0.68) PIK3CAATRPIK3CBNAPEPLDPIK3CG
SCHEMBL3264971 0.88 PIK3CA (0.68) PIK3CAATRPIK3CBNAPEPLDPIK3CG
SCHEMBL1028146 0.88 PIK3CA (0.71) PIK3CAATRPIK3CBNAPEPLDPIK3CG
SCHEMBL1026999 0.88 PIK3CA (0.65) PIK3CAPIK3CBNAPEPLDPIK3CGOGA
SCHEMBL3040686 0.87 PIK3CA (0.62) PIK3CAATRPIK3CBPIK3CG
SCHEMBL13336861 0.87 PIK3CA (0.79) PIK3CAATRPIK3CBPIK3CGOGA
SCHEMBL1028951 0.86 PIK3CA (0.67) PIK3CAATRPIK3CBPIK3CGRAF1
SCHEMBL1028960 0.86 PIK3CA (0.69) PIK3CAATRPIK3CBNAPEPLDPIK3CG
SCHEMBL1026861 0.86 PIK3CA (0.69) PIK3CAPIK3CBPIK3CGRAF1BRAF
SCHEMBL13336824 0.85 PIK3CA (0.65) PIK3CAATRPIK3CBNAPEPLDPIK3CG

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2150546-B1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE HOFFMANN LA ROCHE (CH) 2011-01-19 EP claimed
US-20100130496-A1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-05-27 US claimed
EP-2150546-B1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE HOFFMANN LA ROCHE (CH) 2011-01-19 EP disclosed
US-20100130496-A1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-05-27 US disclosed
US-20100130496-A1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-05-27 US disclosed
WO-2008125839-A2 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE PIRAMED LIMITED (GB) 2008-10-23 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-20100130496-A1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE PIK3CA, PIP5K1B, PIK3CD PIK3CA 1/4885ATR 453/4885PIK3CB 5/4885

“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.