SCHEMBL3527596

SCHEMBL3527596

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.41
MAPK11 Q15759 1/20 0.41
CHEK1 O14757 6/20 0.37
FLT3 P36888 6/20 0.37
NAMPT P43490 1/20 0.36
PKM P14618 1/20 0.36
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DPP4 P27487 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
HTR2A P28223 1/20 0.35
PTGDR2 Q9Y5Y4 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
SCHEMBL3525073 0.94 MAPK14 (0.43) MAPK14MAPK11NAMPTHTR2A
SCHEMBL3519509 0.91 MAPK14 (0.42) MAPK14MAPK11PKMALDH1A1L3MBTL1
SCHEMBL3526022 0.90 MAPK14 (0.44) MAPK14MAPK11PKMALDH1A1L3MBTL1
SCHEMBL3523055 0.90 MAPK14 (0.44) MAPK14MAPK11PKM
SCHEMBL3522301 0.89 MAPK14 (0.44) MAPK14MAPK11PKMHTR2APTGDR2
SCHEMBL3522726 0.89 MAPK14 (0.44) MAPK14MAPK11PKMALDH1A1L3MBTL1
SCHEMBL3522679 0.88 MAPK14 (0.45) MAPK14MAPK11PKMALDH1A1L3MBTL1
SCHEMBL3526735 0.88 MAPK14 (0.42) MAPK14MAPK11ALDH1A1HTR2A
SCHEMBL4475400 0.88 MAPK14 (0.45) MAPK14CHEK1FLT3NAMPTALDH1A1
SCHEMBL3522551 0.86 MAPK14 (0.44) 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 43/4885CHEK1 384/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MAPK14 29/4885MAPK11 48/4885CHEK1 624/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAPK14 38/4885MAPK11 43/4885CHEK1 384/4885

“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.