SCHEMBL14728258

SCHEMBL14728258

Cn1nc(NC(=O)OC(C)(C)C)c(Cc2cccc(Cl)c2Cl)c1O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.39
DRD2 P14416 5/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
LCK P06239 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
DRD3 P35462 1/20 0.38
MAPK14 Q16539 3/20 0.37
P2RX7 Q99572 2/20 0.35
LMNA P02545 2/20 0.35
TRPV1 Q8NER1 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL14720153 0.85 KMT2A (0.41) POLBMEN1KMT2AMAPK14P2RX7
SCHEMBL14728435 0.80 REN (0.42) RENDRD2POLBMAPK1ATM
SCHEMBL15844079 0.72 P2RX7 (0.37) MEN1KMT2AMAPK14P2RX7TRPV1
SCHEMBL14720556 0.72 PNMT (0.41) POLBMEN1KMT2AP2RX7GAA
SCHEMBL28146075 0.67 MEN1 (0.60) MAPK1LCKMEN1KMT2AMAPK14
SCHEMBL29168148 0.67 NQO2 (0.57) RENDRD2POLBMAPK1ATM
SCHEMBL24276059 0.66 KDM4E (0.38) POLBATMLCKMAPK14LMNA
SCHEMBL647689 0.66 LCK (0.49) RENDRD2POLBMAPK1ATM
SCHEMBL24276058 0.66 PTGDR2 (0.37) POLBATMLCKKMT2AMAPK14
SCHEMBL22249532 0.65 ATR (0.52) DRD2LCK

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-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
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 REN 4505/4885DRD2 4586/4885POLB 910/4885

“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.