SCHEMBL14720116

SCHEMBL14720116

O=C1CC(=O)n2nc(C(F)(F)F)c(Cc3cccc(Cl)c3Cl)c2N1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 7/20 0.40
PIK3CD O00329 6/20 0.40
PIK3CA P42336 6/20 0.40
PIK3CG P48736 4/20 0.40
NR3C1 P04150 1/20 0.36
CCR2 P41597 1/20 0.34
CCR5 P51681 1/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
TRPV1 Q8NER1 1/20 0.33
AHR P35869 1/20 0.33
PDCD1LG2 Q9BQ51 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
AKR1B1 P15121 1/20 0.32
ADAMTS5 Q9UNA0 1/20 0.32
NR2E1 Q9Y466 1/20 0.31
MAPT P10636 3/20 0.31
POLB P06746 1/20 0.31
LMNA P02545 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
SCHEMBL14720090 0.72 PIK3CB (0.44) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL14720133 0.71 PIK3CB (0.45) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL14720305 0.68 PIK3CB (0.40) PIK3CBPIK3CDPIK3CAPIK3CGMEN1
SCHEMBL14720275 0.65 PNMT (0.40) PIK3CBPIK3CDPIK3CAPIK3CGNR3C1
SCHEMBL14720111 0.65 PIK3CB (0.44) PIK3CBPIK3CDPIK3CAPIK3CGCCR2
SCHEMBL14720173 0.63 PIK3CB (0.43) PIK3CBPIK3CDPIK3CAPIK3CGCCR2
SCHEMBL14720098 0.62 PIK3CB (0.55) PIK3CBPIK3CDPIK3CAPIK3CGTRPV1
SCHEMBL14720240 0.62 PIK3CB (0.41) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL14720179 0.60 PIK3CD (0.43) PIK3CBPIK3CDPIK3CAPIK3CGNR3C1
SCHEMBL3302008 0.58 PNMT (0.68) MEN1KMT2APOLB

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 3 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-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 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.