SCHEMBL3523901

SCHEMBL3523901

O=C(O)c1cnc(-c2cccnc2)[nH]c1=O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 3/20 0.55
HPGD P15428 1/20 0.52
HPGDS O60760 2/20 0.49
MAPT P10636 2/20 0.49
KDM4C Q9H3R0 1/20 0.49
BTK Q06187 1/20 0.49
PIN1 Q13526 1/20 0.46
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL11422025 0.86 PIN1 (0.62) NPY5RPIN1KDM4E
SCHEMBL4770414 0.83 NPY5R (0.49) NPY5RHPGDMAPTPIN1ALDH1A1
SCHEMBL6889908 0.80 NPY5R (0.55) NPY5RHPGDHPGDSMAPTKDM4C
SCHEMBL4070066 0.78 KDM4E (0.69) HPGDBTKMKNK1MKNK2KDM4E
SCHEMBL3536070 0.76 SCN2A (0.50) PIN1
SCHEMBL24575111 0.75 EGLN1 (0.67)
SCHEMBL11236769 0.74 KDM4E (0.50) NPY5RHPGDMKNK1MKNK2KDM4E
SCHEMBL11666314 0.74 PIN1 (0.54) NPY5RHPGDMAPTPIN1KDM4E
SCHEMBL9205892 0.73 GUSB (0.51)
SCHEMBL1442878 0.73 RECQL (0.73) NPY5RHPGDHPGDSMAPTKDM4C

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 8 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
CN-1968937-A Pyrimidin-4-one derivatives and their use as P38 kinase modulators PHARMACIA CORP (US) 2007-05-23 CN disclosed
US-7183287-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2007-02-27 US disclosed
EP-1753731-A2 PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS P38 KINASE MODULATORS Pharmacia Corporation (US) 2007-02-21 EP disclosed
US-20040242608-A1 Substituted pyrimidinones PHARMACIA LLC 2004-12-02 US disclosed
WO-2004087677-A2 PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS P38 KINASE MODULATORS PHARMACIA CORPORATION (US) 2004-10-14 WO 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 NPY5R 1762/4885HPGD 418/4885HPGDS 100/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 NPY5R 1979/4885HPGD 442/4885HPGDS 69/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 NPY5R 1762/4885HPGD 418/4885HPGDS 100/4885

“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.