SCHEMBL3522065

SCHEMBL3522065

O=c1c(Br)c(-c2ccsc2)ncn1Cc1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.48
ROCK1 Q13464 2/20 0.48
MAPK14 Q16539 2/20 0.46
ADORA1 P30542 2/20 0.44
MAPT P10636 4/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
THRB P10828 1/20 0.39
MAPK1 P28482 1/20 0.39
PDE1C Q14123 1/20 0.39
HSD17B13 Q7Z5P4 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
SCHEMBL3525282 0.85 MAPK14 (0.56) ROCK2ROCK1MAPK14MAPTLMNA
SCHEMBL3524926 0.80 MAPK14 (0.46) ROCK2ROCK1MAPK14MAPTLMNA
SCHEMBL4476632 0.80 MAPK14 (0.53) ROCK2ROCK1MAPK14ADORA1KDM4E
SCHEMBL3523102 0.80 GRIN1 (0.51) ROCK2ROCK1MAPK14MAPTLMNA
SCHEMBL3525008 0.79 MAPK14 (0.44) ROCK2ROCK1MAPK14MAPTLMNA
SCHEMBL3526877 0.79 HPGD (0.57) ROCK2ROCK1MAPK14MAPTKDM4E
SCHEMBL3526882 0.77 MAPT (0.53) ROCK2ROCK1MAPK14MAPTSMN1; SMN2
SCHEMBL3524971 0.77 MAPK14 (0.53) ROCK2ROCK1MAPK14MAPTLMNA
SCHEMBL3521113 0.74 MAPK14 (0.58) ROCK2ROCK1MAPK14MAPTLMNA
SCHEMBL3526494 0.73 MAPK14 (0.49) ROCK2ROCK1MAPK14MAPTLMNA

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

“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.