SCHEMBL4123415

SCHEMBL4123415

O=C(O)NCCc1nc(-c2cccnc2F)c(Sc2ccnc(Cl)c2)s1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.34
SLC40A1 Q9NP59 8/20 0.33
DHODH Q02127 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
LIPC P11150 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
ROCK2 O75116 1/20 0.33
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
GSK3B P49841 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
DYRK1A Q13627 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
SCHEMBL4118238 0.89 POLB (0.39) MAPK14SLC40A1DHODHROCK2KDM4E
SCHEMBL4135557 0.88 SLC40A1 (0.36) MAPK14SLC40A1DHODH
SCHEMBL4138889 0.88 NPC1 (0.34) SLC40A1DHODHROCK2KDM4EMAPK1
SCHEMBL4119019 0.84 LIPG (0.33) DHODHPTGDR2LIPCLIPGROCK2
SCHEMBL4130943 0.83 MAPT (0.38) ROCK2MAPTMAPK1GSK3B
SCHEMBL4137742 0.83 GSK3B (0.38) MAPK14DHODHPTGDR2MAPTGSK3B
SCHEMBL4123409 0.83 DHODH (0.34) MAPK14DHODHPTGDR2LIPCLIPG
SCHEMBL3653705 0.81 DHODH (0.33) MAPK14DHODHPTGDR2LIPCLIPG
SCHEMBL4118456 0.80 LIPG (0.33) MAPK14SLC40A1DHODHPTGDR2LIPC
SCHEMBL3653706 0.79 DHODH (0.32) DHODHPTGDR2ROCK2

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 MAPK14 1238/4885SLC40A1 2890/4885DHODH 1560/4885

“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.