SCHEMBL4119019

SCHEMBL4119019

O=C(O)NCCc1cc(-c2cccnc2F)c(Sc2ccnc(Cl)c2)s1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 3/20 0.33
LIPC P11150 1/20 0.33
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 0.32
DYRK1A Q13627 2/20 0.32
GSK3B P49841 1/20 0.32
ROCK2 O75116 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
DHODH Q02127 1/20 0.31
RORC P51449 1/20 0.31
RORB Q92753 1/20 0.31
PDE10A Q9Y233 1/20 0.30
DYRK1B Q9Y463 1/20 0.30

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
SCHEMBL4119129 0.89 DYRK1A (0.33) LIPGLIPCMTNR1AMTNR1BDYRK1A
SCHEMBL3652325 0.88 NPC1 (0.34) MTNR1AMTNR1BDYRK1AROCK2DHODH
SCHEMBL4125114 0.85 NPC1 (0.32) LIPGLIPCMTNR1AMTNR1BDYRK1A
SCHEMBL4131197 0.85 DYRK1A (0.33) LIPGLIPCDYRK1AGSK3B
SCHEMBL4123415 0.84 MAPK14 (0.34) LIPGLIPCMTNR1AMTNR1BDYRK1A
SCHEMBL4120668 0.83 GSK3B (0.39) MTNR1AMTNR1BGSK3BDHODH
SCHEMBL3799055 0.83 ALDH1A1 (0.36)
SCHEMBL4119012 0.82 LIPG (0.32) LIPGLIPCDYRK1AGSK3BDHODH
SCHEMBL3804239 0.82
SCHEMBL4130804 0.82 MGAM (0.35) DYRK1AGSK3B

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 LIPG 2467/4885LIPC 83/4885MTNR1A 3724/4885

“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.