SCHEMBL4137742

SCHEMBL4137742

COc1cccc(Sc2sc(CCNC(=O)O)nc2-c2cccnc2F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.38
DHFR P00374 1/20 0.38
EGFR P00533 1/20 0.38
PDGFRB P09619 1/20 0.38
KDR P35968 1/20 0.38
MAPK14 Q16539 1/20 0.37
MTNR1A P48039 5/20 0.36
MTNR1B P49286 5/20 0.36
EDNRA P25101 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
PIK3CA P42336 1/20 0.35
CLK1 P49759 1/20 0.34
MAPT P10636 2/20 0.34
DHODH Q02127 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 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
SCHEMBL4131691 0.89 MAPT (0.41) DHFREGFRPDGFRBKDRMAPK14
SCHEMBL4130943 0.88 MAPT (0.38) GSK3BDHFREGFRPDGFRBKDR
SCHEMBL4135557 0.87 SLC40A1 (0.36) MAPK14DHODHKMT2A
SCHEMBL4118238 0.87 POLB (0.39) MAPK14MAPTDHODHMEN1KMT2A
SCHEMBL4120668 0.84 GSK3B (0.39) GSK3BDHFREGFRPDGFRBKDR
SCHEMBL4137738 0.84 EDNRA (0.37) GSK3BDHFREGFRPDGFRBKDR
SCHEMBL4123415 0.83 MAPK14 (0.34) GSK3BMAPK14MTNR1AMTNR1BPTGDR2
SCHEMBL4137731 0.81 NFE2L2 (0.38) GSK3BMAPK14MTNR1BPTGDR2
SCHEMBL4138889 0.80 NPC1 (0.34) DHODH
SCHEMBL3649304 0.79 CLK1 (0.35) GSK3BDHFREGFRPDGFRBKDR

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 GSK3B 4566/4885DHFR 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.