SCHEMBL14723567

SCHEMBL14723567

Oc1cc(-c2ccncc2)nc2c(Cc3cccc(Cl)c3Cl)c(C(F)(F)F)nn12

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 9/20 0.60
PIK3CD O00329 8/20 0.60
PIK3CA P42336 8/20 0.60
PIK3CG P48736 6/20 0.60
PSD A5PKW4 1/20 0.33
MAPT P10636 1/20 0.32
BRAF P15056 2/20 0.32
MAPK1 P28482 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
THRB P10828 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
USP2 O75604 1/20 0.30

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
SCHEMBL14720301 0.85 PIK3CB (0.53) PIK3CBPIK3CDPIK3CAPIK3CGMAPT
SCHEMBL14720173 0.85 PIK3CB (0.43) PIK3CBPIK3CDPIK3CAPIK3CGTRPV1
SCHEMBL14720271 0.84 PIK3CB (0.57) PIK3CBPIK3CDPIK3CAPIK3CGMAPK1
SCHEMBL14720100 0.83 PIK3CB (0.57) PIK3CBPIK3CDPIK3CAPIK3CGMAPT
SCHEMBL14720098 0.81 PIK3CB (0.55) PIK3CBPIK3CDPIK3CAPIK3CGPSD
Acetic Acid SCHEMBL14720443 0.81 PIK3CD (0.51) PIK3CBPIK3CDPIK3CAPIK3CGMAPT
SCHEMBL15843956 0.79 PIK3CD (0.43) PIK3CBPIK3CDPIK3CAPIK3CGMAPT
SCHEMBL14722174 0.78 PIK3CB (0.62) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL14720411 0.77 PIK3CB (0.62) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL14720111 0.76 PIK3CB (0.44) PIK3CBPIK3CDPIK3CAPIK3CGTRPV1

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 8 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
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 PIK3CB 6/4885PIK3CD 7/4885PIK3CA 2/4885

“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.