SCHEMBL1028748

SCHEMBL1028748

CN(C)CCNC(=O)c1nc(Cl)cc(N2CCOCC2)n1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 11/20 0.49
PIK3CA P42336 6/20 0.47
PIK3CG P48736 6/20 0.47
MTOR P42345 2/20 0.47
PIK3CD O00329 5/20 0.47
KMT2A Q03164 2/20 0.46
NAPEPLD Q6IQ20 4/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL16121715 0.77 MAPT (0.57) PIK3CBKMT2ACYP1A2CYP2D6MAPT
SCHEMBL25394278 0.77 PIK3CA (0.42) PIK3CBPIK3CAPIK3CGMTORPIK3CD
SCHEMBL368719 0.76 ATR (0.48) PIK3CBPIK3CAPIK3CGMTORPIK3CD
SCHEMBL1029727 0.76 CYP1A2 (0.54) PIK3CBPIK3CAKMT2ACYP1A2CYP2D6
SCHEMBL3596067 0.76 KMT2A (0.48) PIK3CBPIK3CAPIK3CGMTORKMT2A
SCHEMBL3125978 0.75 CYP1A2 (0.59) PIK3CBPIK3CAKMT2ACYP1A2CYP2D6
SCHEMBL14042944 0.73 CYP1A2 (0.45) KMT2ANAPEPLDCYP1A2CYP2D6MAPT
SCHEMBL3598677 0.72 ALDH1A1 (0.46) PIK3CAPIK3CGMTORKMT2AMAPT
SCHEMBL4107176 0.70 PIK3CA (0.51) PIK3CBPIK3CAPIK3CGMTORPIK3CD
SCHEMBL18739162 0.70 PIK3CB (0.67) PIK3CBPIK3CAPIK3CGMTORPIK3CD

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
EP-2150546-B1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE HOFFMANN LA ROCHE (CH) 2011-01-19 EP disclosed
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 PIK3CB 5/4885PIK3CA 1/4885PIK3CG 13/4885

“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.