SCHEMBL3525282

SCHEMBL3525282

O=c1c(Br)c(-c2ccc(F)cc2)ncn1Cc1cccc(F)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.56
ROCK2 O75116 2/20 0.47
ROCK1 Q13464 2/20 0.47
MAPT P10636 3/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 2/20 0.45
POLB P06746 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 2/20 0.45
NTSR1 P30989 1/20 0.45
HTT P42858 1/20 0.45
HPGD P15428 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GRK2 P25098 1/20 0.43
PDE1C Q14123 1/20 0.42
BRD4 O60885 1/20 0.41
HSD17B13 Q7Z5P4 1/20 0.41

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
SCHEMBL3524926 0.88 MAPK14 (0.46) MAPK14ROCK2ROCK1MAPTALDH1A1
SCHEMBL3522065 0.85 ROCK2 (0.48) MAPK14ROCK2ROCK1MAPTALDH1A1
SCHEMBL3523102 0.84 GRIN1 (0.51) MAPK14ROCK2ROCK1MAPTLMNA
SCHEMBL3526882 0.84 MAPT (0.53) MAPK14ROCK2ROCK1MAPTSMN1; SMN2
SCHEMBL3525008 0.83 MAPK14 (0.44) MAPK14ROCK2ROCK1MAPTALDH1A1
SCHEMBL3526877 0.83 HPGD (0.57) MAPK14ROCK2ROCK1MAPTALDH1A1
SCHEMBL3524971 0.81 MAPK14 (0.53) MAPK14ROCK2ROCK1MAPTALDH1A1
SCHEMBL3521534 0.80 MAPK14 (0.67) MAPK14ROCK2ROCK1MAPTALDH1A1
SCHEMBL3521685 0.79 MAPK14 (0.52) MAPK14ROCK2ROCK1MAPTALDH1A1
SCHEMBL3521682 0.79 MAPK14 (0.52) MAPK14ROCK2ROCK1MAPTALDH1A1

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 38/4885ROCK2 443/4885ROCK1 243/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MAPK14 29/4885ROCK2 409/4885ROCK1 192/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAPK14 38/4885ROCK2 443/4885ROCK1 243/4885

“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.