SCHEMBL3525849

SCHEMBL3525849

O=c1c(Br)c(NCc2ccc(F)cc2C(F)(F)F)ncn1Cc1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.46
EPHX2 P34913 10/20 0.46
PPARG P37231 9/20 0.46
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ROCK2 O75116 2/20 0.40
ROCK1 Q13464 2/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MMP13 P45452 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL3523859 0.88 MAPK14 (0.57) MAPK14ROCK2ROCK1LMNAMAPT
SCHEMBL3523270 0.86 MAPK14 (0.49) MAPK14ROCK2ROCK1LMNAMAPT
SCHEMBL3523863 0.84 GRIN1 (0.44) MAPK14PPARGHDAC3HDAC1HDAC2
SCHEMBL3524048 0.84 KDM4E (0.48) MAPK14ROCK2ROCK1LMNAMAPT
SCHEMBL3520420 0.83 MAPK14 (0.48) MAPK14ROCK2ROCK1LMNAMAPT
SCHEMBL4374297 0.82 MAPK14 (0.52) MAPK14EPHX2PPARGHDAC3HDAC1
SCHEMBL27683030 0.78 MMP13 (0.54) MAPK14LMNAMAPTMMP13KDM4E
SCHEMBL3521065 0.77 MAPK14 (0.52) MAPK14HDAC1HDAC6ROCK2ROCK1
SCHEMBL3522187 0.76 MAPK14 (0.48) MAPK14ROCK2ROCK1LMNAMAPT
SCHEMBL3526199 0.74 HSD17B13 (0.52) MAPK14LMNAMAPTMMP13KDM4E

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 5 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
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 MAPK14 38/4885EPHX2 2945/4885PPARG 1440/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MAPK14 29/4885EPHX2 2900/4885PPARG 1684/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAPK14 38/4885EPHX2 2945/4885PPARG 1440/4885

“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.