SCHEMBL1028951

SCHEMBL1028951

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

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.67
RAD52 P43351 1/20 0.43
ATR Q13535 3/20 0.43
MTOR P42345 2/20 0.43
PRKDC P78527 1/20 0.43
RAF1 P04049 1/20 0.42
BRAF P15056 1/20 0.42
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
OGA O60502 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
SCHEMBL3264971 0.93 PIK3CA (0.68) PIK3CARAD52ATRMTORPRKDC
SCHEMBL13336824 0.93 PIK3CA (0.65) PIK3CARAD52ATRMTORPRKDC
SCHEMBL1025387 0.92 PIK3CA (0.64) PIK3CARAD52ATRMTORPRKDC
SCHEMBL1028146 0.87 PIK3CA (0.71) PIK3CARAD52ATRPIK3CBPIK3CG
SCHEMBL1025284 0.87 PIK3CA (0.52) PIK3CAATRMTORPRKDCPIK3CB
SCHEMBL3037741 0.87 PIK3CA (0.62) PIK3CARAD52ATRMTORPIK3CB
SCHEMBL1311097 0.87 PIK3CA (0.52) PIK3CARAD52ATRMTORPRKDC
SCHEMBL13336861 0.86 PIK3CA (0.79) PIK3CARAD52ATRMTORPRKDC
SCHEMBL1026996 0.86 PIK3CA (0.68) PIK3CAATRRAF1BRAFPIK3CB
SCHEMBL1027127 0.86 PIK3CA (0.68) PIK3CAATRRAF1BRAFPIK3CB

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 7 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-A2 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE F. Hoffmann-Roche AG (CH) 2010-02-10 EP claimed
WO-2008125839-A2 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE PIRAMED LIMITED (GB) 2008-10-23 WO 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

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 1/4885RAD52 3010/4885ATR 453/4885

“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.