SCHEMBL3523102

SCHEMBL3523102

O=c1c(Br)c(-c2cccc(C(F)(F)F)c2)ncn1Cc1cccc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 6/20 0.51
GRIN2B Q13224 6/20 0.51
ROCK2 O75116 2/20 0.46
ROCK1 Q13464 2/20 0.46
MAPK14 Q16539 3/20 0.45
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ICMT O60725 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
SCHEMBL3525282 0.84 MAPK14 (0.56) ROCK2ROCK1MAPK14MAPTLMNA
SCHEMBL3526877 0.82 HPGD (0.57) ROCK2ROCK1MAPK14MAPTTP53
SCHEMBL3525008 0.82 MAPK14 (0.44) ROCK2ROCK1MAPK14MAPTLMNA
SCHEMBL3524926 0.82 MAPK14 (0.46) ROCK2ROCK1MAPK14MAPTLMNA
SCHEMBL4489754 0.81 MAPK14 (0.52) GRIN1GRIN2BMAPK14MAPTLMNA
SCHEMBL3523863 0.81 GRIN1 (0.44) GRIN1GRIN2BROCK2ROCK1MAPK14
SCHEMBL3522065 0.80 ROCK2 (0.48) ROCK2ROCK1MAPK14MAPTLMNA
SCHEMBL3526882 0.78 MAPT (0.53) ROCK2ROCK1MAPK14MAPTTP53
SCHEMBL3519640 0.77 MAPK14 (0.56) GRIN1GRIN2BROCK2ROCK1MAPK14
SCHEMBL3524971 0.76 MAPK14 (0.53) 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 6 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
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 GRIN1 964/4885GRIN2B 1381/4885ROCK2 443/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 GRIN1 884/4885GRIN2B 1469/4885ROCK2 409/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 GRIN1 964/4885GRIN2B 1381/4885ROCK2 443/4885

“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.