SCHEMBL3520149

SCHEMBL3520149

O=c1c(Br)c(OCc2ccc(F)c(F)c2)ncn1Cc1cccc(F)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.55
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
MAPT P10636 4/20 0.41
THRB P10828 2/20 0.41
MAOB P27338 5/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAOA P21397 1/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL3521113 0.93 MAPK14 (0.58) MAPK14KDM4EHPGDNPSR1ROCK2
SCHEMBL3521534 0.90 MAPK14 (0.67) MAPK14KDM4EHPGDNPSR1ROCK2
SCHEMBL3519061 0.89 MAPK14 (0.53) MAPK14KDM4EHPGDNPSR1ROCK2
SCHEMBL3519707 0.89 MAPK14 (0.59) MAPK14KDM4EHPGDNPSR1ROCK2
SCHEMBL3520704 0.87 MAPK14 (0.53) MAPK14KDM4EHPGDNPSR1MAPT
SCHEMBL3519640 0.85 MAPK14 (0.56) MAPK14KDM4EHPGDNPSR1ROCK2
SCHEMBL3526940 0.85 HPGD (0.56) MAPK14KDM4EHPGDNPSR1ROCK2
SCHEMBL3523536 0.85 MAPK14 (0.56) MAPK14KDM4EHPGDNPSR1MAPT
SCHEMBL3521693 0.85 MAPK14 (0.56) MAPK14KDM4EHPGDNPSR1ROCK2
SCHEMBL3518775 0.85 MAPK14 (0.69) MAPK14

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 MAPK14 38/4885KDM4E 3806/4885HPGD 418/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MAPK14 29/4885KDM4E 3935/4885HPGD 442/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAPK14 38/4885KDM4E 3806/4885HPGD 418/4885

“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.