SCHEMBL3522301

SCHEMBL3522301

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.44
MAPK11 Q15759 3/20 0.43
PKM P14618 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 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
SCHEMBL3521730 0.94 MAPK14 (0.47) MAPK14MAPK11DPP8DPP9HTR2A
SCHEMBL3526022 0.91 MAPK14 (0.44) MAPK14MAPK11PKMPTGDR2
SCHEMBL3523055 0.90 MAPK14 (0.44) MAPK14MAPK11PKM
SCHEMBL3522726 0.90 MAPK14 (0.44) MAPK14MAPK11PKMPTGDR2
SCHEMBL3527596 0.89 MAPK14 (0.41) MAPK14MAPK11PKMPTGDR2HTR2A
SCHEMBL3522679 0.89 MAPK14 (0.45) MAPK14MAPK11PKM
SCHEMBL4487452 0.87 MAPK14 (0.45) MAPK14PTGDR2
SCHEMBL3519509 0.87 MAPK14 (0.42) MAPK14MAPK11PKM
SCHEMBL3519705 0.87 MAPK14 (0.45) MAPK14MAPK11
SCHEMBL3519415 0.86 MAPK14 (0.44) MAPK14MAPK11PTGDR2NPC1RAB9A

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.