SCHEMBL4132224

SCHEMBL4132224

O=C(O)NCCc1cc(-c2cccnc2F)c(Sc2ncc[nH]2)s1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.34
PKM P14618 1/20 0.32
SLC40A1 Q9NP59 6/20 0.32
PTGER3 P43115 1/20 0.32
CYP1A2 P05177 1/20 0.31
CHRM4 P08173 1/20 0.31
CYP2D6 P10635 1/20 0.31
GSK3B P49841 2/20 0.31
JAK3 P52333 1/20 0.31
CHEK1 O14757 1/20 0.31
DAPK3 O43293 1/20 0.31
MAP4K4 O95819 1/20 0.31
PIM1 P11309 1/20 0.31
PRKACA P17612 1/20 0.31
KDR P35968 1/20 0.31
MAP2K2 P36507 1/20 0.31
MAPK8 P45983 1/20 0.31
CSNK1A1 P48729 1/20 0.31
CDK8 P49336 1/20 0.31
CLK2 P49760 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
SCHEMBL4131197 0.84 DYRK1A (0.33) DYRK1ACYP1A2CHRM4CYP2D6GSK3B
SCHEMBL3799055 0.83 ALDH1A1 (0.36) CYP2D6
SCHEMBL4119129 0.83 DYRK1A (0.33) DYRK1ACYP1A2CHRM4CYP2D6GSK3B
SCHEMBL4130804 0.83 MGAM (0.35) DYRK1AGSK3B
SCHEMBL4125114 0.82 NPC1 (0.32) DYRK1ACYP1A2CHRM4CYP2D6GSK3B
SCHEMBL4132219 0.82 DYRK1A (0.33) DYRK1APTGER3FFAR4
SCHEMBL4130279 0.81 MAPT (0.37) DYRK1APKMGCK
SCHEMBL3700382 0.81 DYRK1A (0.35) DYRK1AGCK
SCHEMBL4135881 0.80 ICAM1 (0.35) DYRK1ACYP1A2CHRM4CYP2D6GSK3B
SCHEMBL4119019 0.80 LIPG (0.33) DYRK1AGSK3BDYRK1BPDE10A

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 4742/4885PKM 4108/4885SLC40A1 2890/4885

“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.