SCHEMBL14720305

SCHEMBL14720305

Cc1c(Cc2c(N3C(=O)c4ccccc4C3=O)nn3c2NC(=O)CC3=O)cccc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 14/20 0.40
PIK3CD O00329 10/20 0.40
PIK3CG P48736 8/20 0.40
PIK3CA P42336 6/20 0.40
NOTUM Q6P988 1/20 0.35
P2RX7 Q99572 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
XIAP P98170 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
SCHEMBL15856085 0.88 MAPT (0.35) MEN1LMNAMAPTKMT2A
SCHEMBL14720090 0.85 PIK3CB (0.44) PIK3CBPIK3CDPIK3CGPIK3CAP2RX7
SCHEMBL14720133 0.84 PIK3CB (0.45) PIK3CBPIK3CDPIK3CGPIK3CAP2RX7
SCHEMBL14720240 0.76 PIK3CB (0.41) PIK3CBPIK3CDPIK3CGPIK3CANOTUM
SCHEMBL14720260 0.72 PIK3CB (0.42) PIK3CBPIK3CDPIK3CGPIK3CA
SCHEMBL14720116 0.68 PIK3CB (0.40) PIK3CBPIK3CDPIK3CGPIK3CAMEN1
SCHEMBL14720059 0.60 PIK3CB (0.43) PIK3CBPIK3CDPIK3CGPIK3CANOTUM
SCHEMBL13516447 0.60 SMN1; SMN2 (0.43) MEN1LMNAMAPTKMT2A
SCHEMBL20818698 0.60 HTR2C (0.39) P2RX7KMT2A
SCHEMBL14720128 0.59 PIK3CB (0.47) PIK3CBPIK3CDPIK3CGPIK3CA

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 6 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
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 7/4885PIK3CG 20/4885

“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.