SCHEMBL3526022

SCHEMBL3526022

O=C(CO)N1CCc2cc(Cn3cnc(OCc4ccc(F)cc4F)c(Cl)c3=O)ccc2C1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.44
MAPK11 Q15759 3/20 0.44
PKM P14618 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.35
PREP P48147 1/20 0.35

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
SCHEMBL3522726 0.94 MAPK14 (0.44) MAPK14MAPK11PKML3MBTL1ALDH1A1
SCHEMBL3522712 0.94 MAPK14 (0.46) MAPK14MAPK11
SCHEMBL3523055 0.91 MAPK14 (0.44) MAPK14MAPK11PKM
SCHEMBL3522679 0.91 MAPK14 (0.45) MAPK14MAPK11PKML3MBTL1ALDH1A1
SCHEMBL3522301 0.91 MAPK14 (0.44) MAPK14MAPK11PKMPTGDR2
SCHEMBL3527596 0.90 MAPK14 (0.41) MAPK14MAPK11PKML3MBTL1ALDH1A1
SCHEMBL3519509 0.89 MAPK14 (0.42) MAPK14MAPK11PKML3MBTL1ALDH1A1
SCHEMBL3524656 0.87 MAPK14 (0.46) MAPK14MAPK11
SCHEMBL4489411 0.87 MAPK14 (0.47) MAPK14L3MBTL1PREP
SCHEMBL3522013 0.87 MAPK14 (0.44) MAPK14MAPK11ALDH1A1

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 43/4885PKM 994/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MAPK14 29/4885MAPK11 48/4885PKM 1090/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAPK14 38/4885MAPK11 43/4885PKM 994/4885

“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.