SCHEMBL3524048

SCHEMBL3524048

O=c1c(Br)c(NCc2ccccc2)ncn1Cc1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPK14 Q16539 3/20 0.47
CDK9 P50750 2/20 0.46
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
ROCK2 O75116 2/20 0.42
ROCK1 Q13464 2/20 0.42
MMP13 P45452 1/20 0.42
CDK1 P06493 1/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CTSL P07711 1/20 0.41
HSD17B13 Q7Z5P4 1/20 0.41
APP P05067 1/20 0.41
CLPP Q16740 1/20 0.41
ABL1 P00519 1/20 0.40

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
SCHEMBL3523270 0.95 MAPK14 (0.49) KDM4EALDH1A1L3MBTL1MAPK14CDK9
SCHEMBL27683030 0.91 MMP13 (0.54) KDM4EALDH1A1L3MBTL1MAPK14LMNA
SCHEMBL3523863 0.87 GRIN1 (0.44) KDM4EALDH1A1MAPK14LMNAMAPT
SCHEMBL3522187 0.87 MAPK14 (0.48) KDM4EALDH1A1L3MBTL1MAPK14CDK9
SCHEMBL3523859 0.87 MAPK14 (0.57) KDM4EALDH1A1L3MBTL1MAPK14LMNA
SCHEMBL3520420 0.84 MAPK14 (0.48) KDM4EMAPK14CDK9LMNAMAPT
SCHEMBL3525849 0.84 MAPK14 (0.46) KDM4EMAPK14LMNAMAPTROCK2
SCHEMBL3527496 0.83 MAPK14 (0.44) KDM4EALDH1A1L3MBTL1MAPK14LMNA
SCHEMBL3521808 0.83 MAPK14 (0.44) KDM4EALDH1A1L3MBTL1MAPK14LMNA
SCHEMBL3521065 0.81 MAPK14 (0.52) KDM4EALDH1A1L3MBTL1MAPK14LMNA

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 KDM4E 3806/4885ALDH1A1 874/4885L3MBTL1 3378/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 KDM4E 3935/4885ALDH1A1 550/4885L3MBTL1 3456/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 KDM4E 3806/4885ALDH1A1 874/4885L3MBTL1 3378/4885

“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.