SCHEMBL14720207

SCHEMBL14720207

Cc1n[nH]c(N)c1Cc1cccc(C(F)(F)F)c1C

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 13/20 0.44
PIK3CD O00329 11/20 0.44
P2RX7 Q99572 2/20 0.42
NOTUM Q6P988 1/20 0.41
PIK3CG P48736 9/20 0.41
PIK3CA P42336 6/20 0.40
PIK3C2B O00750 3/20 0.39
MTOR P42345 3/20 0.39
AR P10275 1/20 0.36

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
SCHEMBL14720836 0.89 PIK3CB (0.42) PIK3CBPIK3CDP2RX7NOTUMPIK3CG
SCHEMBL14728372 0.87 PIK3CB (0.41) PIK3CBPIK3CDP2RX7NOTUMPIK3CG
SCHEMBL14720059 0.76 PIK3CB (0.43) PIK3CBPIK3CDP2RX7NOTUMPIK3CG
SCHEMBL6218818 0.76 ALDH1A1 (0.44) P2RX7AR
SCHEMBL14720282 0.75 ALDH1A1 (0.47) P2RX7AR
SCHEMBL14720285 0.75 PIK3CB (0.43) PIK3CBPIK3CDP2RX7NOTUMPIK3CG
SCHEMBL14720127 0.73 PNMT (0.43) PIK3CBPIK3CDP2RX7PIK3CA
SCHEMBL13516129 0.73 SMN1; SMN2 (0.50) P2RX7AR
SCHEMBL4550354 0.69 MAOB (0.45) PIK3CBPIK3CDP2RX7NOTUM
SCHEMBL9353066 0.68 MEN1 (0.46) AR

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 7/4885P2RX7 2726/4885

“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.