SCHEMBL3526368

SCHEMBL3526368

Cc1nc(OCc2ccccc2)cc(=O)n1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.49
ALDH1A1 P00352 5/20 0.47
MAPK1 P28482 2/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
TNF P01375 1/20 0.46
GRM5 P41594 1/20 0.45
MAPK14 Q16539 2/20 0.45
ATM Q13315 1/20 0.44
HPGD P15428 5/20 0.43
XBP1 P17861 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NUDT1 P36639 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 3/20 0.42

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
SCHEMBL3526542 0.90 GRM5 (0.60) GRM5HPGDMAPTHTTKDM4E
SCHEMBL3525235 0.81 ALDH1A1 (0.45) ALDH1A1MAPK1KMT2AMEN1TNF
SCHEMBL13167693 0.81 PKM (0.52) PKMALDH1A1GRM5NPC1RAB9A
SCHEMBL3522364 0.78 MAPK14 (0.54) PKMGRM5MAPK14NPC1RAB9A
SCHEMBL3521617 0.77 ALDH1A1 (0.51) ALDH1A1MAPK1KMT2AMEN1TNF
SCHEMBL13167694 0.75 MAPK14 (0.49) ALDH1A1MAPK1KMT2AMEN1TNF
SCHEMBL3528019 0.74 MAPT (0.43) ALDH1A1MAPK1KMT2AMEN1TNF
SCHEMBL4376107 0.74 MAPK14 (0.57) ALDH1A1MAPK1KMT2AMEN1GRM5
SCHEMBL9876641 0.73 CDK4 (0.54) PKMALDH1A1MAPK1KMT2AMEN1
SCHEMBL13185698 0.73 MAPK14 (0.46) MAPK14

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 7 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-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-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 PKM 994/4885ALDH1A1 874/4885MAPK1 1/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 PKM 1090/4885ALDH1A1 550/4885MAPK1 1/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 PKM 994/4885ALDH1A1 874/4885MAPK1 1/4885

“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.