SCHEMBL2190223

SCHEMBL2190223

COc1ccc(Nc2nc(Cl)nc3c2cnn3C)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.65
BCDIN3D Q7Z5W3 3/20 0.59
KMT2A Q03164 6/20 0.58
MEN1 O00255 5/20 0.58
SHMT2 P34897 3/20 0.58
PDE2A O00408 2/20 0.54
PIK3CA P42336 1/20 0.53
MAPT P10636 4/20 0.52
KDM4E B2RXH2 2/20 0.52
POLB P06746 2/20 0.52
HPGD P15428 2/20 0.52
MAPK1 P28482 2/20 0.52
HSD17B10 Q99714 2/20 0.52
CYP1A2 P05177 1/20 0.52
HSP90AA1 P07900 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HCRTR1 O43613 1/20 0.52
ALDH1A1 P00352 2/20 0.50

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
SCHEMBL2193191 0.82 PIK3CA (0.72) GAABCDIN3DKMT2AMEN1PIK3CA
SCHEMBL22806016 0.81 GAA (0.80) GAABCDIN3DKMT2AMEN1SHMT2
SCHEMBL29582070 0.81 GAA (0.80) GAABCDIN3DKMT2AMEN1SHMT2
SCHEMBL13087256 0.80 GAA (0.78) GAAKMT2AMEN1SHMT2PDE2A
SCHEMBL2195957 0.77 GAA (0.62) GAABCDIN3DKMT2AMEN1PDE2A
SCHEMBL3171129 0.76 GAA (0.72) GAABCDIN3DKMT2AMEN1PDE2A
SCHEMBL29582062 0.76 BCDIN3D (0.63) GAABCDIN3DKMT2AMEN1PDE2A
SCHEMBL22806464 0.76 BCDIN3D (0.63) GAABCDIN3DKMT2AMEN1PDE2A
SCHEMBL22805485 0.76 PDE2A (0.72) GAABCDIN3DKMT2AMEN1PDE2A
SCHEMBL29487191 0.76 PDE2A (0.72) GAABCDIN3DKMT2AMEN1PDE2A

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-8987280-B2 Pyrazolopyrimidine PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2015-03-24 US disclosed
US-8987280-B2 Pyrazolopyrimidine PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2015-03-24 US disclosed
US-8987280-B2 Pyrazolopyrimidine PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2015-03-24 US disclosed
EP-2252616-B1 PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2014-07-23 EP disclosed
EP-2252616-B1 PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2014-07-23 EP disclosed
US-20110172216-A1 PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2011-07-14 US disclosed
US-20110172216-A1 PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2011-07-14 US disclosed
US-20110172216-A1 PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2011-07-14 US disclosed
EP-2252616-A1 PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2010-11-24 EP disclosed
WO-2009097446-A1 PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-08-06 WO disclosed
WO-2009097446-A1 PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-08-06 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-20110172216-A1 PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PI4KA GAA 1587/4885BCDIN3D 1803/4885KMT2A 3692/4885

“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.