SCHEMBL839915

SCHEMBL839915

O=C1CN(Cc2ccc(-c3ccc(F)c(CN4CCS(=O)(=O)CC4)n3)cc2)C(=O)N1C1CCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.46
JAK1 P23458 4/20 0.37
KCNH2 Q12809 2/20 0.36
MCHR1 Q99705 2/20 0.36
JAK2 O60674 6/20 0.35
JAK3 P52333 3/20 0.35
TYK2 P29597 4/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GRM2 Q14416 1/20 0.33
STK10 O94804 1/20 0.33
ABL1 P00519 1/20 0.33
CYP1A2 P05177 1/20 0.33
CSF1R P07333 1/20 0.33
FLT1 P17948 1/20 0.33
CYP2C19 P33261 1/20 0.33
FLT4 P35916 1/20 0.33
FLT3 P36888 1/20 0.33
STAT1 P42224 1/20 0.33
IRAK1 P51617 1/20 0.33

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
SCHEMBL838691 0.96 ENPP2 (0.43) ENPP2JAK1KCNH2MCHR1JAK2
SCHEMBL839466 0.88 ENPP2 (0.49) ENPP2MCHR1JAK2JAK3CYP2C19
SCHEMBL839140 0.84 ENPP2 (0.47) ENPP2JAK1KCNH2JAK2JAK3
SCHEMBL840609 0.83 JAK2 (0.38) ENPP2JAK1KCNH2MCHR1JAK2
SCHEMBL1998199 0.83 ENPP2 (0.50) ENPP2JAK1KCNH2MCHR1JAK2
SCHEMBL839137 0.82 JAK2 (0.36) ENPP2JAK1JAK2JAK3TYK2
SCHEMBL839474 0.82 ENPP2 (0.47) ENPP2JAK1KCNH2MCHR1JAK2
SCHEMBL840567 0.82 JAK2 (0.37) JAK1KCNH2MCHR1JAK2JAK3
SCHEMBL839534 0.80 JAK2 (0.38) ENPP2JAK1JAK2JAK3TYK2
SCHEMBL839567 0.78 ENPP2 (0.44) ENPP2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143246-B2 1-(4-(pyridin-2-yl)benzyl)imidazolidine-2,4-dione derivatives MSD OSS B.V. (NL) 2012-03-27 US claimed
EP-2373639-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES N.V. Organon (NL) 2011-10-12 EP claimed
US-20100144724-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES N.V.ORGANON 2010-06-10 US claimed
WO-2010063666-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES N.V. ORGANON (NL) 2010-06-10 WO claimed
US-8143246-B2 1-(4-(pyridin-2-yl)benzyl)imidazolidine-2,4-dione derivatives MSD OSS B.V. (NL) 2012-03-27 US disclosed
EP-2373639-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES N.V. Organon (NL) 2011-10-12 EP disclosed
US-20100144724-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES N.V.ORGANON 2010-06-10 US disclosed
WO-2010063666-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES N.V. ORGANON (NL) 2010-06-10 WO 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 (1 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-20100144724-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES OPRD1, CNR1, CNR2 ENPP2 1230/4885JAK1 660/4885KCNH2 56/4885

“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.