SCHEMBL16234132

SCHEMBL16234132

O=C1Nc2ccc3ncsc3c2/C1=C/c1cncs1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 1/20 0.68
TLK2 Q86UE8 1/20 0.68
NEK7 Q8TDX7 1/20 0.68
NEK6 Q9HC98 1/20 0.68
MELK Q14680 1/20 0.45
NTRK1 P04629 1/20 0.44
PIM1 P11309 1/20 0.40
MAP4K1 Q92918 2/20 0.33
ERBB2 P04626 1/20 0.33
CYP19A1 P11511 1/20 0.33
CLK1 P49759 4/20 0.32
DYRK1A Q13627 4/20 0.32
DYRK2 Q92630 4/20 0.32
DYRK1B Q9Y463 4/20 0.32
CSNK2A2 P19784 2/20 0.32
CSNK2B P67870 2/20 0.32
CSNK2A1 P68400 2/20 0.32
CLK4 Q9HAZ1 3/20 0.31
GSK3B P49841 2/20 0.31
DYRK3 O43781 2/20 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
SCHEMBL16231608 0.83 MAP3K11 (0.61) MAP3K11TLK2NEK7NEK6MELK
SCHEMBL1395124 0.81 TLK2 (1.00) MAP3K11TLK2NEK7NEK6MELK
SCHEMBL29908697 0.81 TLK2 (1.00) MAP3K11TLK2NEK7NEK6MELK
SCHEMBL1395126 0.81 TLK2 (1.00) MAP3K11TLK2NEK7NEK6MELK
SCHEMBL2230665 0.81 TLK2 (1.00) MAP3K11TLK2NEK7NEK6MELK
SCHEMBL16231618 0.77 MAP3K11 (0.60) MAP3K11TLK2NEK7NEK6MELK
SCHEMBL16231615 0.77 TLK2 (0.70) MAP3K11TLK2NEK7NEK6MELK
SCHEMBL9886520 0.77 MAP3K11 (0.64) MAP3K11TLK2NEK7NEK6MELK
SCHEMBL16231617 0.77 TLK2 (0.60) MAP3K11TLK2NEK7NEK6MELK
SCHEMBL16234131 0.76 TLK2 (0.69) MAP3K11TLK2NEK7NEK6MELK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140336184-A1 METHOD TO ENHANCE COGNITION BAYLOR COLLEGE OF MEDICINE 2014-11-13 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-20140336184-A1 METHOD TO ENHANCE COGNITION EIF2AK2, EEF2K, EIF2AK1 MAP3K11 621/4885TLK2 785/4885NEK7 467/4885

“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.