SCHEMBL2839244

SCHEMBL2839244

COc1cccc(Sc2sc(CN(C)C(=O)O)cc2-c2ccccc2F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 3/20 0.42
HSD17B2 P37059 2/20 0.40
DYRK1A Q13627 3/20 0.39
CLK1 P49759 2/20 0.39
P4HB P07237 1/20 0.37
CLK2 P49760 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36

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
SCHEMBL4120659 0.88 EDNRA (0.38) EDNRAHSD17B2DYRK1ACLK1P4HB
SCHEMBL4131683 0.82 EDNRA (0.40) EDNRAHSD17B2DYRK1ACLK1P4HB
SCHEMBL2839246 0.82 EDNRA (0.41) EDNRACLK1P4HBTUBB4ATUBB
SCHEMBL2837806 0.82 EDNRA (0.44) EDNRAHSD17B2DYRK1ACLK1TUBB4A
Fumaric Acid SCHEMBL2838620 0.80 SMN1; SMN2 (0.41) EDNRAP4HBTUBB4ATUBBTUBA3C
Fumaric Acid SCHEMBL2838623 0.80 SMN1; SMN2 (0.41) EDNRAP4HBTUBB4ATUBBTUBA3C
SCHEMBL2838714 0.80 DHFR (0.39) EDNRAP4HBTUBB4ATUBBTUBA3C
SCHEMBL3655896 0.78 KAT6A (0.42) HSD17B2DYRK1ACLK1LMNAMTNR1B
SCHEMBL2837973 0.77 HSD17B2 (0.39) HSD17B2DYRK1ACLK1LPAR1LPAR5
SCHEMBL3653613 0.77 CLK1 (0.34) EDNRAHSD17B2DYRK1ACLK1P4HB

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
EP-3162798-B1 5-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2021-04-14 EP disclosed
EP-3162798-A1 5-MEMBERED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-05-03 EP disclosed
EP-2196459-B1 5-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2016-11-02 EP disclosed
US-8334301-B2 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-18 US disclosed
US-20100210696-A1 5-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-19 US disclosed
EP-2196459-A1 5-MEMBERED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-06-16 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-20100210696-A1 5-MEMBERED HETEROCYCLIC COMPOUND NPY4R, NPY5R, NPY1R EDNRA 1407/4885HSD17B2 232/4885DYRK1A 3699/4885

“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.