SCHEMBL4131197

SCHEMBL4131197

O=C(O)NCCc1cc(-c2cccnc2F)c(Sc2ccsc2)s1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.33
CYP1A2 P05177 1/20 0.32
CHRM4 P08173 1/20 0.32
CYP2D6 P10635 1/20 0.32
CTSD P07339 2/20 0.32
BACE1 P56817 2/20 0.32
BACE2 Q9Y5Z0 2/20 0.32
GSK3B P49841 1/20 0.31
HIF1A Q16665 1/20 0.31
LIPG Q9Y5X9 2/20 0.30
LIPC P11150 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 0.88 DYRK1A (0.33) DYRK1ACYP1A2CHRM4CYP2D6GSK3B
SCHEMBL4125114 0.87 NPC1 (0.32) DYRK1ACYP1A2CHRM4CYP2D6GSK3B
SCHEMBL4130804 0.85 MGAM (0.35) DYRK1AGSK3B
SCHEMBL4119019 0.85 LIPG (0.33) DYRK1AGSK3BLIPGLIPC
SCHEMBL3799055 0.84 ALDH1A1 (0.36) CYP2D6
SCHEMBL3652325 0.84 NPC1 (0.34) DYRK1A
SCHEMBL4132224 0.84 DYRK1A (0.34) DYRK1ACYP1A2CHRM4CYP2D6GSK3B
SCHEMBL4135881 0.83 ICAM1 (0.35) DYRK1ACYP1A2CHRM4CYP2D6GSK3B
SCHEMBL4120668 0.83 GSK3B (0.39) GSK3B
SCHEMBL4131192 0.82 CTSD (0.34) DYRK1ACTSDBACE1BACE2

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 DYRK1A 4742/4885CYP1A2 539/4885CHRM4 2954/4885

“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.