SCHEMBL3522176

SCHEMBL3522176

NCc1ccc(Cn2cnc(OCc3ccccc3)c(Br)c2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.53
DAPK1 P53355 1/20 0.46
MAOB P27338 1/20 0.43
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GRK2 P25098 1/20 0.39
GRK1 Q15835 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL3524427 0.93 MAPK14 (0.48) MAPK14DAPK1MAOBSMN1; SMN2GRK2
SCHEMBL3524527 0.92 MAPK14 (0.60) MAPK14DAPK1HPGDSMN1; SMN2GRK2
SCHEMBL3522304 0.90 MAPK14 (0.55) MAPK14DAPK1LMNAMEN1ALDH1A1
SCHEMBL3524246 0.89 MAPK14 (0.54) MAPK14DAPK1HPGDSMN1; SMN2LMNA
SCHEMBL3522825 0.89 MAPK14 (0.54) MAPK14DAPK1HPGDSMN1; SMN2LMNA
SCHEMBL3521867 0.88 MAPK14 (0.53) MAPK14DAPK1HPGDSMN1; SMN2KDM4E
SCHEMBL3525553 0.88 MAPK14 (0.53) MAPK14DAPK1HPGDSMN1; SMN2LMNA
SCHEMBL3521697 0.88 MAPK14 (0.53) MAPK14DAPK1HPGDSMN1; SMN2LMNA
SCHEMBL3521512 0.87 MAPK14 (0.46) MAPK14DAPK1SMN1; SMN2ALDH1A1HTT
SCHEMBL3518444 0.87 MAPK14 (0.55) MAPK14MAOBHPGDSMN1; SMN2MEN1

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 MAPK14 38/4885DAPK1 553/4885MAOB 1718/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MAPK14 29/4885DAPK1 682/4885MAOB 1814/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAPK14 38/4885DAPK1 553/4885MAOB 1718/4885

“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.