SCHEMBL931314

SCHEMBL931314

O=c1cc(N2CCOCC2)nc2n1CCC(C(F)(F)F)N2

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.53
PIK3C3 Q8NEB9 4/20 0.53
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
PRKDC P78527 2/20 0.40
PIK3CB P42338 10/20 0.38
AKT1 P31749 1/20 0.38
PIK3CD O00329 9/20 0.38
PIK3CG P48736 8/20 0.38
PIK3R1 P27986 1/20 0.38
MTOR P42345 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL931315 1.00 PIK3CA (0.53) PIK3CAPIK3C3MEN1POLBKMT2A
SCHEMBL931317 1.00 PIK3CA (0.53) PIK3CAPIK3C3MEN1POLBKMT2A
SCHEMBL16858919 0.84 PIK3CA (0.51) PIK3CAPIK3C3PIK3R1
SCHEMBL931337 0.77 PIK3CA (0.32) PIK3CAPIK3C3
SCHEMBL930652 0.77 PIK3CA (0.33) PIK3CAPIK3C3PIK3R1
SCHEMBL16865841 0.77 PIK3R1 (0.58) PIK3CAPIK3R1
SCHEMBL930654 0.77 PIK3CA (0.33) PIK3CAPIK3C3PIK3R1
SCHEMBL16859083 0.77 PIK3R1 (0.58) PIK3CAPIK3R1
SCHEMBL930655 0.77 PIK3CA (0.33) PIK3CAPIK3C3PIK3R1
SCHEMBL931335 0.77 PIK3CA (0.32) PIK3CAPIK3C3

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 17 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 disclosed
EP-2655375-B1 PYRIMIDINONE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF SANOFI SA (FR) 2014-12-03 EP disclosed
US-8846670-B2 1,2,3,4-tetrahydro-pyrimido(1,2-a)pyrimidin-6-one derivatives, preparation thereof, and pharmaceutical use thereof SANOFI (FR) 2014-09-30 US disclosed
US-8846670-B2 1,2,3,4-tetrahydro-pyrimido(1,2-a)pyrimidin-6-one derivatives, preparation thereof, and pharmaceutical use thereof SANOFI (FR) 2014-09-30 US disclosed
US-8846670-B2 1,2,3,4-tetrahydro-pyrimido(1,2-a)pyrimidin-6-one derivatives, preparation thereof, and pharmaceutical use thereof SANOFI (FR) 2014-09-30 US disclosed
US-8815853-B2 Pyrimidinone derivatives, preparation thereof and pharmaceutical use thereof SANOFI (FR) 2014-08-26 US disclosed
EP-2448940-B1 6,7,8,9-tetrahydro-pyrimido{1,2-a} pyrimidin-4-one derivatives, their preparation and pharmaceutical use thereof SANOFI SA (FR) 2014-05-21 EP disclosed
EP-2448940-B1 6,7,8,9-tetrahydro-pyrimido{1,2-a} pyrimidin-4-one derivatives, their preparation and pharmaceutical use thereof SANOFI SA (FR) 2014-05-21 EP 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
US-20120208810-A1 NOVEL 1,2,3,4-TETRAHYDRO-PYRIMIDO(1,2-A)PYRIMIDIN-6-ONE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF SANOFI (FR) 2012-08-16 US disclosed
US-20120208810-A1 NOVEL 1,2,3,4-TETRAHYDRO-PYRIMIDO(1,2-A)PYRIMIDIN-6-ONE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF SANOFI (FR) 2012-08-16 US disclosed
US-20120208810-A1 NOVEL 1,2,3,4-TETRAHYDRO-PYRIMIDO(1,2-A)PYRIMIDIN-6-ONE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF SANOFI (FR) 2012-08-16 US disclosed
WO-2012085244-A1 PYRIMIDINONE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF SANOFI (FR) 2012-06-28 WO disclosed
EP-2448940-A2 NOVEL 1,2,3,4-TETRAHYDRO-PYRIMIDO(1,2-A)PYRIMIDIN-6-ONE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF SANOFI (FR) 2012-05-09 EP disclosed
WO-2011001113-A2 NOVEL 1,2,3,4-TETRAHYDRO-PYRIMIDO(1,2-A)PYRIMIDIN-6-ONE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF SANOFI-AVENTIS (FR) 2011-01-06 WO disclosed
WO-2011001113-A2 NOVEL 1,2,3,4-TETRAHYDRO-PYRIMIDO(1,2-A)PYRIMIDIN-6-ONE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF SANOFI-AVENTIS (FR) 2011-01-06 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 (2 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 1318/4885MEN1 328/4885
US-20120208810-A1 NOVEL 1,2,3,4-TETRAHYDRO-PYRIMIDO(1,2-A)PYRIMIDIN-6-ONE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF ALK, HAX1, HCLS1 PIK3CA 3059/4885PIK3C3 3977/4885MEN1 3803/4885

“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.