SCHEMBL839137

SCHEMBL839137

CC(C)CN1C(=O)CN(Cc2ccc(-c3ccc(F)c(CN4CCS(=O)(=O)CC4)n3)cc2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.36
JAK3 P52333 5/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ACVR1 Q04771 1/20 0.34
HDAC6 Q9UBN7 5/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
ENPP2 Q13822 1/20 0.33
JAK1 P23458 3/20 0.33
ACP1 P24666 1/20 0.33
DHODH Q02127 1/20 0.33
TYK2 P29597 2/20 0.33
PTK2 Q05397 1/20 0.32
PTGER3 P43115 1/20 0.32
GRM2 Q14416 1/20 0.32
TRPV3 Q8NET8 1/20 0.32

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
SCHEMBL840609 0.90 JAK2 (0.38) JAK2JAK3MEN1KMT2AACVR1
SCHEMBL840567 0.89 JAK2 (0.37) JAK2JAK3MEN1KMT2AACVR1
SCHEMBL839474 0.88 ENPP2 (0.47) JAK2JAK3MEN1KMT2AACVR1
SCHEMBL839534 0.87 JAK2 (0.38) JAK2JAK3MEN1KMT2AACVR1
SCHEMBL838691 0.84 ENPP2 (0.43) JAK2JAK3MEN1KMT2AACVR1
SCHEMBL839122 0.84 JAK1 (0.38) JAK2JAK3MEN1KMT2AACVR1
SCHEMBL2001890 0.83 KMT2A (0.37) MEN1KMT2AHDAC6HDAC1HDAC2
SCHEMBL840699 0.83 HRH3 (0.41) JAK2JAK3HDAC6HDAC1HDAC2
SCHEMBL839915 0.82 ENPP2 (0.46) JAK2JAK3MEN1KMT2AACVR1
SCHEMBL840608 0.80 HRH3 (0.41) JAK2JAK3HDAC6HDAC1HDAC2

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
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
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 JAK2 1023/4885JAK3 398/4885MEN1 2597/4885

“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.