SCHEMBL1634392

SCHEMBL1634392

COC[C@@H]1CSC(c2cc3cccc(NC4CCCC4)c3[nH]2)=N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.39
ATAD2 Q6PL18 3/20 0.39
TTK P33981 2/20 0.32
PIM1 P11309 3/20 0.32
PIM2 Q9P1W9 3/20 0.32
RIPK1 Q13546 1/20 0.31
GALR2 O43603 1/20 0.31
GALR1 P47211 1/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31
TUBB8 Q3ZCM7 1/20 0.31
TUBA3E Q6PEY2 1/20 0.31
TUBA1A Q71U36 1/20 0.31
TUBA1C Q9BQE3 1/20 0.31

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
SCHEMBL1277796 0.90 BRD4 (0.38) BRD4ATAD2TTKPIM1PIM2
SCHEMBL1277792 0.90 BRD4 (0.38) BRD4ATAD2TTKPIM1PIM2
SCHEMBL2930374 0.89 BRD4 (0.41) BRD4ATAD2PIM1PIM2RIPK1
SCHEMBL1277915 0.88 BRD4 (0.38) BRD4ATAD2TTKPIM1PIM2
SCHEMBL1277913 0.88 BRD4 (0.38) BRD4ATAD2TTKPIM1PIM2
SCHEMBL3032714 0.87 BRD4 (0.37) BRD4ATAD2PIM1PIM2RIPK1
SCHEMBL3032710 0.87 BRD4 (0.37) BRD4ATAD2PIM1PIM2RIPK1
SCHEMBL3025267 0.87 BRD4 (0.39) BRD4ATAD2PIM1PIM2KDM4E
SCHEMBL1277663 0.87 BRD4 (0.43) BRD4ATAD2PIM1PIM2KDM4E
SCHEMBL3025264 0.87 BRD4 (0.39) BRD4ATAD2PIM1PIM2KDM4E

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-8309586-B2 Glucokinase activators and pharmaceutical compositions containing the same as an active ingredient LG LIFE SCIENCES LTD. (KR) 2012-11-13 US disclosed
US-20120088760-A1 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG CHEM, LTD. (KR) 2012-04-12 US disclosed
US-20100267708-A1 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG LIFE SCIENCES LTD. (KR) 2010-10-21 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 (2 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-20120088760-A1 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT GCKR, GCK, GALK1 BRD4 4127/4885ATAD2 2604/4885TTK 760/4885
US-20100267708-A1 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT GCK, GCKR, HK1 BRD4 3674/4885ATAD2 2052/4885TTK 815/4885

“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.