SCHEMBL16726643

SCHEMBL16726643

O=c1[nH]ccc2c1c(-c1ccc(S)cc1)cn2C1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.40
DYRK1A Q13627 2/20 0.40
LCK P06239 2/20 0.36
SRC P12931 2/20 0.36
TEK Q02763 2/20 0.36
HCK P08631 1/20 0.36
BRD9 Q9H8M2 1/20 0.34
JAK2 O60674 9/20 0.33
JAK1 P23458 4/20 0.33
HCAR1 Q9BXC0 1/20 0.32
JAK3 P52333 1/20 0.31
KCNH2 Q12809 1/20 0.31
ZAP70 P43403 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
SCHEMBL16623549 0.93 LCK (0.38) GSK3BDYRK1ALCKSRCTEK
SCHEMBL16623513 0.89 SRC (0.38) LCKSRCTEKBRD9JAK2
SCHEMBL16623514 0.87 BRD9 (0.39) LCKSRCTEKBRD9JAK2
SCHEMBL16623437 0.87 BRD9 (0.39) LCKSRCTEKBRD9JAK2
SCHEMBL16623519 0.85 GSK3B (0.38) GSK3BDYRK1ALCKSRCTEK
SCHEMBL16610905 0.84 CA12 (0.39) GSK3BDYRK1ALCKSRCTEK
SCHEMBL16611042 0.83 GSK3B (0.36) GSK3BDYRK1ALCKSRCTEK
SCHEMBL18052582 0.79 LCK (0.38) GSK3BDYRK1ALCKSRCTEK
SCHEMBL16610867 0.78 CA12 (0.38) LCKSRCTEKJAK2JAK1
SCHEMBL16623539 0.78 BRD9 (0.32) BRD9JAK2JAK1HCAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 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 (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-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 GSK3B 3280/4885DYRK1A 4694/4885LCK 1373/4885

“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.