SCHEMBL3519640

SCHEMBL3519640

O=c1c(Br)c(OCc2ccc(C(F)(F)F)cc2)ncn1Cc1cccc(F)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.56
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CLPP Q16740 1/20 0.40
MAPT P10636 5/20 0.40
NOD1 Q9Y239 1/20 0.40
THRB P10828 1/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL3518434 0.91 MAPK14 (0.55) MAPK14ROCK2ROCK1KDM4EHPGD
SCHEMBL3521534 0.91 MAPK14 (0.67) MAPK14ROCK2ROCK1KDM4EHPGD
SCHEMBL3522756 0.90 MAPK14 (0.53) MAPK14ROCK2ROCK1KDM4EHPGD
SCHEMBL3519707 0.89 MAPK14 (0.59) MAPK14ROCK2ROCK1KDM4EHPGD
SCHEMBL3521113 0.89 MAPK14 (0.58) MAPK14ROCK2ROCK1KDM4EHPGD
SCHEMBL3522112 0.88 MAPK14 (0.50) MAPK14KDM4EHPGDMAPTALDH1A1
SCHEMBL3524029 0.88 MAPK14 (0.50) MAPK14KDM4EALDH1A1SMN1; SMN2
SCHEMBL3519980 0.86 MAPT (0.50) MAPK14ROCK2ROCK1KDM4EMAPT
SCHEMBL3523536 0.86 MAPK14 (0.56) MAPK14KDM4EHPGDNPSR1MAPT
SCHEMBL3520149 0.85 MAPK14 (0.55) MAPK14ROCK2ROCK1KDM4EHPGD

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 38/4885ROCK2 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.