SCHEMBL2270502

SCHEMBL2270502

CC(C)c1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CC3CN(C(=O)O)C3)ccc2n1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 18/20 0.53
PIK3CB P42338 15/20 0.53
PIK3CA P42336 11/20 0.53
PIK3CG P48736 9/20 0.53
PIK3R1 P27986 1/20 0.46

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
SCHEMBL2270479 0.90 PIK3CD (0.50) PIK3CDPIK3CBPIK3CAPIK3CGPIK3R1
SCHEMBL2272961 0.87 PIK3CD (0.50) PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL2274271 0.86 PIK3CD (0.57) PIK3CDPIK3CBPIK3CAPIK3CGPIK3R1
SCHEMBL2274919 0.82 PIK3CB (0.63) PIK3CDPIK3CBPIK3CAPIK3CGPIK3R1
SCHEMBL2276341 0.82 PIK3CD (0.53) PIK3CDPIK3CBPIK3CAPIK3CGPIK3R1
SCHEMBL2276337 0.82 PIK3CD (0.53) PIK3CDPIK3CBPIK3CAPIK3CGPIK3R1
SCHEMBL2273010 0.79 PIK3CD (0.58) PIK3CDPIK3CBPIK3CAPIK3CGPIK3R1
SCHEMBL2674040 0.77 PIK3CD (0.70) PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL2673176 0.77 PIK3CD (0.68) PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL2272728 0.77 PIK3CD (0.75) PIK3CDPIK3CBPIK3CAPIK3CG

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-8563540-B2 Pyrido[3,2-d]pyrimidine PI3K delta inhibitor compounds and methods of use GENENTECH, INC. (US) 2013-10-22 US disclosed
US-20130225557-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2013-08-29 US disclosed
US-8440651-B2 Pyrido[3,2-d]pyrimidine PI3K delta inhibitor compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2013-05-14 US disclosed
US-20110207713-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-08-25 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 (2 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-20130225557-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885PIK3CB 3/4885PIK3CA 1/4885
US-20110207713-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885PIK3CB 3/4885PIK3CA 1/4885

“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.