SCHEMBL14728511

SCHEMBL14728511

O=C1c2ccccc2C(=O)N1c1nn2c(Cl)cc(Cl)nc2c1Cc1cccc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
CTRC Q99895 1/20 0.36
MDM2 Q00987 1/20 0.36
ALDH1A1 P00352 3/20 0.35
CMA1 P23946 3/20 0.35
NQO1 P15559 2/20 0.34
CA12 O43570 1/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
IDH1 O75874 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
GLA P06280 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL15855698 0.84 ALPL (0.30)
SCHEMBL14728242 0.82 NQO1 (0.38) POLBALDH1A1CMA1NQO1CA12
SCHEMBL14720260 0.81 PIK3CB (0.42) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL14720170 0.80 ALDH1A1 (0.39) CTRCALDH1A1NQO1MAPTMEN1
SCHEMBL14720276 0.69 POLB (0.37) POLBALDH1A1CMA1NQO1CA12
SCHEMBL15191971 0.62 UBA1 (0.46) POLBALDH1A1MEN1HPGDKMT2A
SCHEMBL28457078 0.61 MAPK1 (0.51) CTRCALDH1A1CMA1MAPTHPGD
SCHEMBL14720384 0.61 PIK3CB (0.57) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1337353 0.61 CA12 (0.57) POLBMDM2ALDH1A1CA12MAPT
SCHEMBL1264765 0.60 POLB (0.54) POLBALDH1A1MAPTMEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096605-B2 Pyrazolopyrimidine derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2015-08-04 US disclosed
US-9096605-B2 Pyrazolopyrimidine derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2015-08-04 US disclosed
US-9096605-B2 Pyrazolopyrimidine derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2015-08-04 US disclosed
US-20140187545-A1 Pyrazolopyrimidine Derivatives As PI3 Kinase Inhibitors GLAXOSMITHKLINE LLC (US) 2014-07-03 US disclosed
US-20140187545-A1 Pyrazolopyrimidine Derivatives As PI3 Kinase Inhibitors GLAXOSMITHKLINE LLC (US) 2014-07-03 US disclosed
US-20140187545-A1 Pyrazolopyrimidine Derivatives As PI3 Kinase Inhibitors GLAXOSMITHKLINE LLC (US) 2014-07-03 US disclosed
WO-2013028263-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-02-28 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-20140187545-A1 Pyrazolopyrimidine Derivatives As PI3 Kinase Inhibitors PI4KB, PIK3CA, PI4K2B POLB 910/4885CTRC 3826/4885MDM2 394/4885

“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.