SCHEMBL9955435

SCHEMBL9955435

COC(C)(C)CN1c2nc(N3CCOCC3)cc(=O)n2CC[C@H]1C(F)(F)F

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.68
PIK3C3 Q8NEB9 6/20 0.68
PIK3R1 P27986 14/20 0.51
PIK3CB P42338 1/20 0.51
PIK3CG P48736 1/20 0.51

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
SCHEMBL9955440 1.00 PIK3CA (0.68) PIK3CAPIK3C3PIK3R1PIK3CBPIK3CG
SCHEMBL9954673 0.88 PIK3CA (0.68) PIK3CAPIK3C3PIK3R1PIK3CBPIK3CG
SCHEMBL9954680 0.88 PIK3CA (0.68) PIK3CAPIK3C3PIK3R1PIK3CBPIK3CG
SCHEMBL9960770 0.83 PIK3CA (0.68) PIK3CAPIK3C3PIK3R1PIK3CBPIK3CG
SCHEMBL9953752 0.83 PIK3CA (0.68) PIK3CAPIK3C3PIK3R1PIK3CBPIK3CG
SCHEMBL26198635 0.83 PIK3CA (0.68) PIK3CAPIK3C3PIK3R1PIK3CBPIK3CG
SCHEMBL26198636 0.82 PIK3CA (0.68) PIK3CAPIK3C3PIK3R1PIK3CBPIK3CG
SCHEMBL9955527 0.82 PIK3CA (0.73) PIK3CAPIK3C3PIK3R1PIK3CBPIK3CG
SCHEMBL15346551 0.82 PIK3CA (0.72) PIK3CAPIK3C3PIK3R1PIK3CBPIK3CG
SCHEMBL9955931 0.82 PIK3CA (0.72) PIK3CAPIK3C3PIK3R1PIK3CBPIK3CG

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655375-B1 PYRIMIDINONE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF SANOFI SA (FR) 2014-12-03 EP claimed
US-8815853-B2 Pyrimidinone derivatives, preparation thereof and pharmaceutical use thereof SANOFI (FR) 2014-08-26 US claimed
US-20130289031-A1 PYRIMIDINONE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF SANOFI (FR) 2013-10-31 US claimed
EP-2655375-B1 PYRIMIDINONE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF SANOFI SA (FR) 2014-12-03 EP disclosed
EP-2655375-B1 PYRIMIDINONE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF SANOFI SA (FR) 2014-12-03 EP disclosed
US-8815853-B2 Pyrimidinone derivatives, preparation thereof and pharmaceutical use thereof SANOFI (FR) 2014-08-26 US disclosed
US-8815853-B2 Pyrimidinone derivatives, preparation thereof and pharmaceutical use thereof SANOFI (FR) 2014-08-26 US disclosed
US-8815853-B2 Pyrimidinone derivatives, preparation thereof and pharmaceutical use thereof SANOFI (FR) 2014-08-26 US disclosed
US-20130289031-A1 PYRIMIDINONE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF SANOFI (FR) 2013-10-31 US disclosed
US-20130289031-A1 PYRIMIDINONE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF SANOFI (FR) 2013-10-31 US disclosed
US-20130289031-A1 PYRIMIDINONE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF SANOFI (FR) 2013-10-31 US disclosed
EP-2655375-A1 PYRIMIDINONE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF SANOFI (FR) 2013-10-30 EP disclosed
WO-2012085244-A1 PYRIMIDINONE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF SANOFI (FR) 2012-06-28 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-20130289031-A1 PYRIMIDINONE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF DPYD, TYMP, DHPS PIK3CA 192/4885PIK3C3 1318/4885PIK3R1 1653/4885

“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.