SCHEMBL5229346

SCHEMBL5229346

CCN(CC)c1ccnc2sc(C(N)=O)c(N)c12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 10/20 0.74
ALDH1A1 P00352 5/20 0.74
HTT P42858 3/20 0.74
CDK19 Q9BWU1 3/20 0.74
KDM4E B2RXH2 2/20 0.74
IKBKB O14920 5/20 0.64
LIMK1 P53667 2/20 0.63
NPC1 O15118 2/20 0.53
LMNA P02545 2/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
STAT1 P42224 1/20 0.53
HPGD P15428 2/20 0.51
ALOX15 P16050 2/20 0.51
TSHR P16473 2/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL4657890 0.88 CDK8 (0.76) CDK8ALDH1A1HTTCDK19KDM4E
SCHEMBL426655 0.85 CDK8 (1.00) CDK8ALDH1A1HTTCDK19KDM4E
SCHEMBL4657854 0.84 CDK8 (0.73) CDK8ALDH1A1HTTCDK19KDM4E
SCHEMBL4659275 0.82 CDK8 (0.70) CDK8ALDH1A1HTTCDK19KDM4E
SCHEMBL4658096 0.78 CDK8 (0.68) CDK8ALDH1A1HTTCDK19KDM4E
SCHEMBL4656539 0.78 IKBKB (1.00) CDK8ALDH1A1HTTCDK19KDM4E
SCHEMBL14110677 0.78 ALDH1A1 (0.61) CDK8ALDH1A1HTTCDK19KDM4E
SCHEMBL16071462 0.77 LIMK1 (1.00) CDK8ALDH1A1HTTCDK19KDM4E
SCHEMBL4659211 0.77 IKBKB (1.00) CDK8ALDH1A1HTTCDK19KDM4E
SCHEMBL16071478 0.77 LIMK1 (0.72) CDK8ALDH1A1HTTCDK19KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070219234-A1 Thienopyridine Derivatives SANKYO COMPANY, LIMITED (JP) 2007-09-20 US disclosed
CN-1968954-A Thienopyridine Derivatives SANKYO CO (JP) 2007-05-23 CN disclosed
EP-1764367-A1 THIENOPYRIDINE DERIVATIVES Sankyo Company, Limited (JP) 2007-03-21 EP 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-20070219234-A1 Thienopyridine Derivatives RASGRP1, NRAS, HRH3 CDK8 2017/4885ALDH1A1 1073/4885HTT 3498/4885

“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.