SCHEMBL3526504

SCHEMBL3526504

O=C(CCO)N1CCc2c(cccc2Cn2cnc(OCc3ccc(F)cc3F)c(Cl)c2=O)C1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.44
MAPK11 Q15759 3/20 0.44
ENPP2 Q13822 3/20 0.38
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.34
ALDH1A1 P00352 1/20 0.34
PREP P48147 1/20 0.34

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
SCHEMBL3522556 0.94 MAPK14 (0.43) MAPK14MAPK11ENPP2TDP1L3MBTL1
SCHEMBL3525717 0.90 MAPK14 (0.45) MAPK14MAPK11L3MBTL1ALDH1A1PREP
SCHEMBL3522481 0.90 MAPK14 (0.44) MAPK14MAPK11
SCHEMBL3519415 0.90 MAPK14 (0.44) MAPK14MAPK11ENPP2PTGDR2
SCHEMBL3521949 0.89 MAPK14 (0.41) MAPK14MAPK11ENPP2L3MBTL1PTGDR2
SCHEMBL3522555 0.87 MAPK14 (0.42) MAPK14MAPK11ENPP2
SCHEMBL4469329 0.87 MAPK14 (0.44) MAPK14ENPP2TDP1L3MBTL1ALDH1A1
SCHEMBL3522726 0.86 MAPK14 (0.44) MAPK14MAPK11L3MBTL1PTGDR2ALDH1A1
SCHEMBL3524668 0.83 MAPK14 (0.41) MAPK14MAPK11PTGDR2
SCHEMBL3524656 0.82 MAPK14 (0.46) MAPK14MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795271-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2010-09-14 US disclosed
US-20090306108-A1 SUBSTITUTED PYRIMIDINONES PFIZER INC 2009-12-10 US disclosed
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES PHARMACIA CORPORATION (US) 2007-07-19 US disclosed
US-7183287-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2007-02-27 US disclosed
US-20040242608-A1 Substituted pyrimidinones PHARMACIA LLC 2004-12-02 US 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 (3 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-20090306108-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAPK14 38/4885MAPK11 43/4885ENPP2 1146/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MAPK14 29/4885MAPK11 48/4885ENPP2 1320/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAPK14 38/4885MAPK11 43/4885ENPP2 1146/4885

“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.