SCHEMBL3522364

SCHEMBL3522364

Cc1nc(OCc2ccccc2)cc(=O)n1-c1c(Cl)cccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.54
PKM P14618 2/20 0.47
GRM5 P41594 7/20 0.46
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
P2RX7 Q99572 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
NUDT1 P36639 1/20 0.39
RORC P51449 1/20 0.38
FABP3 P05413 1/20 0.38
FABP4 P15090 1/20 0.38
FABP5 Q01469 1/20 0.38

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
SCHEMBL13167693 0.83 PKM (0.52) PKMGRM5NPC1RAB9AL3MBTL1
SCHEMBL3526368 0.78 PKM (0.49) MAPK14PKMGRM5NPC1RAB9A
SCHEMBL4376136 0.78 MAPK14 (0.62) MAPK14PKMGRM5NPC1RAB9A
SCHEMBL3521380 0.76 MAPK14 (0.64) MAPK14PKMNPC1RAB9AL3MBTL1
SCHEMBL3526542 0.75 GRM5 (0.60) GRM5
SCHEMBL603696 0.70 NUDT1 (0.48) PKMGRM5L3MBTL1SMN1; SMN2NUDT1
SCHEMBL4376625 0.70 MAPK14 (1.00) MAPK14
SCHEMBL3527353 0.68 MAPK14 (0.57) MAPK14
SCHEMBL4478084 0.68 MAPK14 (0.64) MAPK14GRM5
SCHEMBL31493092 0.67 ALDH1A1 (0.52) GRM5L3MBTL1SMN1; SMN2NUDT1

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 38/4885PKM 994/4885GRM5 1357/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MAPK14 29/4885PKM 1090/4885GRM5 1217/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAPK14 38/4885PKM 994/4885GRM5 1357/4885

“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.