SCHEMBL4555586

SCHEMBL4555586

CN(C)CCN(C)Cc1cc2nc(Cl)nc(N3CCOCC3)c2s1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.52
PIK3R1 P27986 9/20 0.48
MTOR P42345 5/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
PIK3CD O00329 4/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
PIK3CB P42338 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC3 O15379 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
SCHEMBL4555936 0.94 PIK3CA (0.51) PIK3CAPIK3R1MTORSMN1; SMN2PIK3CD
SCHEMBL4437463 0.89 PIK3CA (0.66) PIK3CAPIK3R1MTORSMN1; SMN2PIK3CD
SCHEMBL4439734 0.87 PIK3CA (0.54) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL1859279 0.86 PIK3CA (0.53) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL1181583 0.84 PIK3CA (0.49) PIK3CAPIK3R1MTORSMN1; SMN2PIK3CD
SCHEMBL4433808 0.84 PIK3CA (0.52) PIK3CAPIK3R1MTORPIK3CD
SCHEMBL4447653 0.84 PIK3CA (0.49) PIK3CAPIK3R1MTORSMN1; SMN2PIK3CD
SCHEMBL1181829 0.83 PIK3CA (0.49) PIK3CAPIK3R1MTORSMN1; SMN2PIK3CD
SCHEMBL4440222 0.82 PIK3CA (0.46) PIK3CAPIK3R1MTORPIK3CDHDAC1
SCHEMBL1284147 0.82 PIK3CA (0.51) PIK3CAPIK3R1MTORSMN1; SMN2PIK3CD

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-9487533-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH, INC. (US) 2016-11-08 US disclosed
EP-2114950-B1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2016-03-09 EP disclosed
EP-2114950-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2009-11-11 EP disclosed
US-20080269210-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2008-10-30 US disclosed
WO-2008073785-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-06-19 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-20080269210-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, AKT3, PI4KA PIK3CA 1/4885PIK3R1 16/4885MTOR 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.