SCHEMBL3520529

SCHEMBL3520529

Cc1nc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1ccc(C(=O)N2CCOCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.51
ALDH1A1 P00352 3/20 0.47
PLA2G1B P04054 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ROCK2 O75116 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
STRADA Q7RTN6 1/20 0.43

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
SCHEMBL3521656 0.93 MAPK14 (0.54) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL3526415 0.92 MAPK14 (0.53) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL3518781 0.91 MAPK14 (0.54) MAPK14
SCHEMBL3526045 0.90 MAPK14 (0.53) MAPK14ROCK2MAPK12MAPK11STRADA
Hydrochloric Acid SCHEMBL3520646 0.89 MAPK14 (0.51) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL3521978 0.87 MAPK14 (0.53) MAPK14ALDH1A1HPGDSMN1; SMN2
SCHEMBL3522743 0.85 MAPK14 (0.58) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL4386762 0.85 MAPK14 (0.72) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL3522697 0.84 MAPK14 (0.70) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL3522081 0.84 MAPK14 (0.57) MAPK14ROCK2MAPK12MAPK11STRADA

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 38/4885ALDH1A1 874/4885PLA2G1B 1919/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MAPK14 29/4885ALDH1A1 550/4885PLA2G1B 2478/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAPK14 38/4885ALDH1A1 874/4885PLA2G1B 1919/4885

“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.