SCHEMBL3521808

SCHEMBL3521808

O=c1c(Br)c(NS(=O)(=O)Cc2ccccc2)ncn1Cc1cccc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.44
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
ROCK2 O75116 2/20 0.40
ROCK1 Q13464 2/20 0.40
NR1I2 O75469 4/20 0.40
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B13 Q7Z5P4 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
SCHEMBL3527496 0.88 MAPK14 (0.44) MAPK14KDM4EALDH1A1L3MBTL1LMNA
SCHEMBL3522187 0.84 MAPK14 (0.48) MAPK14KDM4EALDH1A1L3MBTL1LMNA
SCHEMBL3524048 0.83 KDM4E (0.48) MAPK14KDM4EALDH1A1L3MBTL1LMNA
SCHEMBL4476585 0.81 MAPK14 (0.51) MAPK14KDM4EALDH1A1L3MBTL1KMT2A
SCHEMBL3523270 0.80 MAPK14 (0.49) MAPK14KDM4EALDH1A1L3MBTL1LMNA
SCHEMBL3521065 0.78 MAPK14 (0.52) MAPK14KDM4EALDH1A1L3MBTL1LMNA
SCHEMBL3526494 0.76 MAPK14 (0.49) MAPK14KDM4EALDH1A1L3MBTL1LMNA
SCHEMBL3522412 0.75 MAPK14 (0.47) MAPK14KDM4EALDH1A1LMNAMAPT
SCHEMBL3523859 0.75 MAPK14 (0.57) MAPK14KDM4EALDH1A1L3MBTL1LMNA
SCHEMBL3521076 0.75 MAPT (0.49) MAPK14KDM4EALDH1A1L3MBTL1LMNA

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 38/4885KDM4E 3806/4885ALDH1A1 874/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MAPK14 29/4885KDM4E 3935/4885ALDH1A1 550/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAPK14 38/4885KDM4E 3806/4885ALDH1A1 874/4885

“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.