SCHEMBL3690286

SCHEMBL3690286

CNC(=O)c1cc(Sc2ccc(Cl)nc2)n(-c2cc(F)ccc2F)n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 10/20 0.40
KCNQ2 O43526 10/20 0.40
KCNE1 P15382 8/20 0.38
KCNQ1 P51787 8/20 0.38
MALT1 Q9UDY8 4/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
NTRK1 P04629 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RIPK1 Q13546 1/20 0.36
CNR2 P34972 2/20 0.35
CNR1 P21554 1/20 0.35
BACE1 P56817 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL3712710 0.92 CNR1 (0.43) KCNQ3KCNQ2KCNE1KCNQ1MALT1
SCHEMBL3698652 0.92 NTRK1 (0.39) KCNQ3KCNQ2KCNE1KCNQ1MALT1
SCHEMBL3702068 0.91 KCNQ3 (0.39) KCNQ3KCNQ2KCNE1KCNQ1MALT1
SCHEMBL3698170 0.91 MALT1 (0.38) KCNQ3KCNQ2KCNE1KCNQ1MALT1
SCHEMBL3694760 0.89 MALT1 (0.39) KCNQ3KCNQ2MALT1NFKB1NFKB2
SCHEMBL3694274 0.85 NTRK1 (0.36) KCNQ3KCNQ2KCNE1KCNQ1MALT1
SCHEMBL3691798 0.85 KCNQ3 (0.37) KCNQ3KCNQ2KCNE1KCNQ1MALT1
SCHEMBL3694337 0.85 MALT1 (0.35) KCNQ3KCNQ2KCNE1KCNQ1MALT1
SCHEMBL3694848 0.85 SCN9A (0.41) KCNQ3KCNQ2KCNE1KCNQ1MALT1
SCHEMBL3692782 0.84 THRB (0.38) KCNQ3KCNQ2KMT2ANPSR1

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 5 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
EP-2190822-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-06-02 EP disclosed
WO-2009041705-A9 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2009-08-13 WO disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
WO-2009041705-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-02 WO 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 KCNQ3 4287/4885KCNQ2 3933/4885KCNE1 3912/4885

“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.