SCHEMBL4119129

SCHEMBL4119129

O=C(O)NCCc1cc(-c2cccnc2F)c(Sc2ccncc2)s1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.33
LIPG Q9Y5X9 3/20 0.33
LIPC P11150 1/20 0.33
MTNR1A P48039 6/20 0.32
MTNR1B P49286 6/20 0.32
GSK3B P49841 1/20 0.32
MAPK14 Q16539 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RAB9A P51151 1/20 0.31
CYP1A2 P05177 1/20 0.31
CHRM4 P08173 1/20 0.31
CYP2D6 P10635 1/20 0.31
ROCK2 O75116 2/20 0.31
GAA P10253 1/20 0.31
NAPRT Q6XQN6 1/20 0.30
ROCK1 Q13464 1/20 0.30
PDE10A Q9Y233 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
SCHEMBL4119019 0.89 LIPG (0.33) DYRK1ALIPGLIPCMTNR1AMTNR1B
SCHEMBL4131197 0.88 DYRK1A (0.33) DYRK1ALIPGLIPCGSK3BCYP1A2
SCHEMBL4125114 0.87 NPC1 (0.32) DYRK1ALIPGLIPCMTNR1AMTNR1B
SCHEMBL3799055 0.86 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2RAB9ACYP2D6GAA
SCHEMBL3652325 0.86 NPC1 (0.34) DYRK1AMTNR1AMTNR1BSMN1; SMN2RAB9A
SCHEMBL4130804 0.85 MGAM (0.35) DYRK1AGSK3BSMN1; SMN2RAB9AGAA
SCHEMBL4120668 0.84 GSK3B (0.39) MTNR1AMTNR1BGSK3B
SCHEMBL4132224 0.83 DYRK1A (0.34) DYRK1AGSK3BCYP1A2CHRM4CYP2D6
SCHEMBL4135881 0.83 ICAM1 (0.35) DYRK1ALIPGLIPCGSK3BALDH1A1
SCHEMBL4130279 0.82 MAPT (0.37) DYRK1AALDH1A1SMN1; SMN2RAB9A

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 4742/4885LIPG 2467/4885LIPC 83/4885

“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.