SCHEMBL1923342

SCHEMBL1923342

Cn1nc(COc2cccc(OCc3ccccc3)c2)c2c(Cl)ncnc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.50
PIK3CA P42336 1/20 0.50
PIK3CB P42338 1/20 0.50
PIK3CG P48736 1/20 0.50
PRKDC P78527 1/20 0.50
MAOB P27338 4/20 0.46
BTK Q06187 1/20 0.43
MEN1 O00255 1/20 0.42
NR2F2 P24468 1/20 0.42
KMT2A Q03164 1/20 0.42
IGF1R P08069 4/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
SRC P12931 2/20 0.40
BCHE P06276 2/20 0.40
ABL1 P00519 1/20 0.40
CSNK1A1 P48729 1/20 0.39
CSNK1D P48730 1/20 0.39
CSNK1E P49674 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL1923471 0.87 PIK3CD (0.48) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL1923294 0.86 PIK3CD (0.64) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL1923556 0.79 SRC (0.41) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL1923298 0.75 PIK3CD (0.60) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL15613570 0.72 PIK3CD (0.81) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL1923920 0.70 PDE2A (0.37) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL1268719 0.69 MAOB (0.81) MAOBMEN1KMT2ACYP4F2CYP4A11
SCHEMBL1923530 0.69 SRC (0.50) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL28182081 0.68 MAOB (0.79) MAOBMEN1KMT2ACYP4F2CYP4A11
SCHEMBL130425 0.67 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968554-B2 Pyrazolo[3,4-d]pyrimidine derivatives HOFFMAN-LA ROCHE INC. (US) 2011-06-28 US disclosed
US-7968554-B2 Pyrazolo[3,4-d]pyrimidine derivatives HOFFMAN-LA ROCHE INC. (US) 2011-06-28 US disclosed
US-7968554-B2 Pyrazolo[3,4-d]pyrimidine derivatives HOFFMAN-LA ROCHE INC. (US) 2011-06-28 US disclosed
EP-2188290-B1 PYRAZOLO[3,4-D]-PYRAMIDINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS HOFFMANN LA ROCHE (CH) 2011-06-08 EP disclosed
EP-2188290-B1 PYRAZOLO[3,4-D]-PYRAMIDINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS HOFFMANN LA ROCHE (CH) 2011-06-08 EP disclosed
EP-2188290-A1 PYRAZOLO[3,4-D]-PYRAMIDINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS F. Hoffmann-Roche AG (CH) 2010-05-26 EP disclosed
US-20090048274-A1 PYRAZOLO[3,4-d]PYRIMIDINE DERIVATIVES BARTKOVITZ DAVID JOSEPH 2009-02-19 US disclosed
US-20090048274-A1 PYRAZOLO[3,4-d]PYRIMIDINE DERIVATIVES BARTKOVITZ DAVID JOSEPH 2009-02-19 US disclosed
US-20090048274-A1 PYRAZOLO[3,4-d]PYRIMIDINE DERIVATIVES BARTKOVITZ DAVID JOSEPH 2009-02-19 US disclosed
WO-2009021869-A1 PYRAZOLO[3,4-D]-PYRAMIDINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-19 WO disclosed
WO-2009021869-A1 PYRAZOLO[3,4-D]-PYRAMIDINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-19 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-20090048274-A1 PYRAZOLO[3,4-d]PYRIMIDINE DERIVATIVES BRAF, RAF1, PRKDC PIK3CD 117/4885PIK3CA 67/4885PIK3CB 225/4885

“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.