SCHEMBL839140

SCHEMBL839140

O=C1CN(Cc2ccc(-c3cccc(CN4CCS(=O)(=O)CC4)n3)cc2)C(=O)N1C1CCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.47
JAK1 P23458 5/20 0.39
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
KMT2A Q03164 2/20 0.37
JAK2 O60674 5/20 0.37
JAK3 P52333 4/20 0.37
TYK2 P29597 3/20 0.37
STK10 O94804 1/20 0.37
ABL1 P00519 1/20 0.37
CSF1R P07333 1/20 0.37
FLT1 P17948 1/20 0.37
FLT4 P35916 1/20 0.37
FLT3 P36888 1/20 0.37
STAT1 P42224 1/20 0.37
IRAK1 P51617 1/20 0.37
MAPK10 P53779 1/20 0.37
KCNH2 Q12809 1/20 0.37
MERTK Q12866 1/20 0.37
AAK1 Q2M2I8 1/20 0.37

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
SCHEMBL839915 0.84 ENPP2 (0.46) ENPP2JAK1CYP1A2CYP2C19KMT2A
SCHEMBL2000525 0.82 ENPP2 (0.52) ENPP2JAK1CYP1A2CYP2C19KMT2A
SCHEMBL839343 0.82 JAK1 (0.39) ENPP2JAK1CYP1A2CYP2C19KMT2A
SCHEMBL839122 0.82 JAK1 (0.38) ENPP2JAK1CYP1A2CYP2C19KMT2A
SCHEMBL840747 0.81 ENPP2 (0.48) ENPP2JAK1CYP1A2CYP2C19KMT2A
SCHEMBL838691 0.80 ENPP2 (0.43) ENPP2JAK1CYP1A2CYP2C19KMT2A
SCHEMBL1999482 0.78 ENPP2 (0.48) ENPP2JAK1CYP1A2CYP2C19KMT2A
SCHEMBL840168 0.78 ENPP2 (0.40) ENPP2JAK1CYP2C19HCRTR1HCRTR2
SCHEMBL1998199 0.77 ENPP2 (0.50) ENPP2JAK1CYP1A2CYP2C19KMT2A
SCHEMBL840720 0.77 ENPP2 (0.46) 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 6 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
US-20100144724-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES N.V.ORGANON 2010-06-10 US 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 660/4885CYP1A2 2378/4885

“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.