SCHEMBL4137738

SCHEMBL4137738

COc1cccc(Sc2sc(CN(C)C(=O)O)nc2-c2cccnc2F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.37
DHFR P00374 1/20 0.37
EGFR P00533 1/20 0.37
PDGFRB P09619 1/20 0.37
KDR P35968 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
CLK1 P49759 4/20 0.36
DYRK1A Q13627 3/20 0.36
CLK2 P49760 2/20 0.35
CLK4 Q9HAZ1 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
GSK3B P49841 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B2 P37059 1/20 0.35
MAPK14 Q16539 1/20 0.35
PIK3CA P42336 1/20 0.34
LMNA P02545 1/20 0.34
BACE1 P56817 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL4131683 0.89 EDNRA (0.40) EDNRADHFREGFRPDGFRBKDR
SCHEMBL3649304 0.89 CLK1 (0.35) EDNRADHFREGFRPDGFRBKDR
SCHEMBL4135549 0.88 DHODH (0.36) LMNAKMT2APOLBHPGD
SCHEMBL3653891 0.88 ALDH1A1 (0.36) DHFREGFRPDGFRBKDRPTGDR2
SCHEMBL4118235 0.88 DHODH (0.37) DHFRMAPK14MEN1KMT2ARXFP1
SCHEMBL4137742 0.84 GSK3B (0.38) EDNRADHFREGFRPDGFRBKDR
SCHEMBL4120659 0.84 EDNRA (0.38) EDNRADHFREGFRPDGFRBKDR
SCHEMBL4123409 0.84 DHODH (0.34) PTGDR2MAPK14
SCHEMBL4138886 0.80 DHODH (0.32) MEN1KMT2A
SCHEMBL3648852 0.80 NFE2L2 (0.39) PTGDR2CLK1DYRK1ACLK2CLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 EDNRA 4381/4885DHFR 2833/4885EGFR 4225/4885

“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.