SCHEMBL5346115

SCHEMBL5346115

Cc1nc(OCc2ccc(F)cc2CN(CC2CC2)C(=O)O)c(Cl)c(=O)n1-c1c(F)cccc1F

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.45
LPAR1 Q92633 5/20 0.37
LPAR5 Q9H1C0 5/20 0.37
MAPK11 Q15759 1/20 0.35
MAPK1 P28482 1/20 0.35
MAPKAPK5 Q8IW41 1/20 0.35
LTC4S Q16873 1/20 0.34
CRHR1 P34998 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
SCHEMBL5356051 0.89 MAPK14 (0.48) MAPK14MAPK11MAPK1MAPKAPK5
SCHEMBL5364747 0.87 MAPK14 (0.46) MAPK14MAPK11MAPK1MAPKAPK5
SCHEMBL3519387 0.84 MAPK14 (0.43) MAPK14MAPK11MAPK1MAPKAPK5
SCHEMBL3522356 0.82 MAPK14 (0.51) MAPK14MAPK11MAPK1MAPKAPK5
SCHEMBL3524524 0.82 MAPK14 (0.56) MAPK14MAPK11MAPK1MAPKAPK5
SCHEMBL5435409 0.80 MAPK14 (0.49) MAPK14
SCHEMBL5267652 0.80 MAPK14 (0.54) MAPK14MAPK1MAPKAPK5
SCHEMBL3522967 0.80 MAPK14 (0.67) MAPK14MAPK11
SCHEMBL5267142 0.80 MAPK14 (0.50) MAPK14MAPK11MAPK1MAPKAPK5
Trifluoroacetic Acid SCHEMBL3523297 0.79 MAPK14 (0.48) MAPK14MAPK11MAPK1MAPKAPK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MAPK14 29/4885LPAR1 1222/4885LPAR5 1620/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAPK14 38/4885LPAR1 1068/4885LPAR5 1653/4885

“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.