SCHEMBL931480

SCHEMBL931480

O=c1cc(N2CCOCC2)nc2n1CC[C@@H](C(F)(F)F)N2Cc1cccc(F)c1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.65
PIK3C3 Q8NEB9 6/20 0.65
PIK3CB P42338 2/20 0.55
PIK3CD O00329 1/20 0.55
PIK3R1 P27986 13/20 0.50
PIK3CG P48736 1/20 0.47

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
SCHEMBL931623 0.91 PIK3CA (0.63) PIK3CAPIK3C3PIK3CBPIK3CDPIK3R1
SCHEMBL931532 0.91 PIK3CA (0.72) PIK3CAPIK3C3PIK3CBPIK3R1PIK3CG
SCHEMBL931536 0.91 PIK3CA (0.75) PIK3CAPIK3C3PIK3CBPIK3R1PIK3CG
SCHEMBL931535 0.91 PIK3CA (0.75) PIK3CAPIK3C3PIK3CBPIK3R1PIK3CG
SCHEMBL931572 0.91 PIK3CA (0.75) PIK3CAPIK3C3PIK3CBPIK3R1PIK3CG
SCHEMBL11909889 0.90 PIK3CA (0.66) PIK3CAPIK3C3PIK3CBPIK3CDPIK3R1
SCHEMBL932348 0.88 PIK3CA (0.61) PIK3CAPIK3C3PIK3CBPIK3R1PIK3CG
SCHEMBL930780 0.85 PIK3CA (0.63) PIK3CAPIK3C3PIK3CBPIK3R1PIK3CG
SCHEMBL932006 0.83 PIK3CA (0.73) PIK3CAPIK3C3PIK3CBPIK3R1PIK3CG
SCHEMBL932007 0.83 PIK3CA (0.73) PIK3CAPIK3C3PIK3CBPIK3R1PIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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
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-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
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 (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-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 3977/4885PIK3CB 4431/4885

“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.