SCHEMBL840747

SCHEMBL840747

CC(C)N1C(=O)CN(Cc2ccc(-c3cccc(CN4CCS(=O)(=O)CC4)n3)cc2)C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.48
JAK1 P23458 4/20 0.39
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
JAK2 O60674 8/20 0.38
JAK3 P52333 7/20 0.38
MEN1 O00255 1/20 0.38
ACP1 P24666 1/20 0.36
TYK2 P29597 3/20 0.36
ACVR1 Q04771 1/20 0.35
PTK2 Q05397 3/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
STK10 O94804 1/20 0.34
ABL1 P00519 1/20 0.34
CSF1R P07333 1/20 0.34
FLT1 P17948 1/20 0.34
FLT4 P35916 1/20 0.34
FLT3 P36888 1/20 0.34

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
SCHEMBL840327 0.89 ENPP2 (0.51) ENPP2CYP2C19JAK2JAK3HTR1A
SCHEMBL839122 0.87 JAK1 (0.38) ENPP2JAK1KMT2ACYP1A2CYP2C19
SCHEMBL839343 0.86 JAK1 (0.39) ENPP2JAK1KMT2ACYP1A2CYP2C19
SCHEMBL839474 0.83 ENPP2 (0.47) ENPP2JAK1KMT2AJAK2JAK3
SCHEMBL839140 0.81 ENPP2 (0.47) ENPP2JAK1KMT2ACYP1A2CYP2C19
SCHEMBL840172 0.76 HRH3 (0.41) ENPP2CYP2C19JAK2JAK3HTR1A
SCHEMBL839667 0.75 CXCR4 (0.44) ENPP2JAK2JAK3HTR1ADRD2
SCHEMBL839469 0.75 HRH3 (0.43) ENPP2CYP2C19JAK2JAK3HTR1A
SCHEMBL840115 0.72 HRH3 (0.41) ENPP2CYP2C19HTR1ADRD2
SCHEMBL840087 0.72 NOS1 (0.41) ENPP2CYP2C19KDM4E

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-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
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
US-20100144724-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES N.V.ORGANON 2010-06-10 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 (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 660/4885KMT2A 1921/4885

“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.