SCHEMBL3698652

SCHEMBL3698652

CNC(=O)c1cc(Sc2ccc(Cl)nc2)n(-c2cc(F)ccc2Cl)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 5/20 0.39
KCNQ3 O43525 6/20 0.38
KCNQ2 O43526 6/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
KCNE1 P15382 5/20 0.36
KCNQ1 P51787 5/20 0.36
MALT1 Q9UDY8 3/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
BACE1 P56817 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
BRD4 O60885 1/20 0.34
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL3690286 0.92 KCNQ3 (0.40) NTRK1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL3702068 0.91 KCNQ3 (0.39) NTRK1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL3712710 0.90 CNR1 (0.43) NTRK1KCNQ3KCNQ2L3MBTL1KCNE1
SCHEMBL2840457 0.87 MALT1 (0.40) NTRK1MALT1NFKB1NFKB2RELA
SCHEMBL3694760 0.85 MALT1 (0.39) NTRK1KCNQ3KCNQ2MALT1NFKB1
SCHEMBL3712644 0.84 THRB (0.38) L3MBTL1KMT2A
SCHEMBL3691798 0.83 KCNQ3 (0.37) NTRK1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL3698170 0.83 MALT1 (0.38) NTRK1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL3694274 0.83 NTRK1 (0.36) NTRK1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL3694337 0.83 MALT1 (0.35) NTRK1KCNQ3KCNQ2KCNE1KCNQ1

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 NTRK1 4870/4885KCNQ3 4287/4885KCNQ2 3933/4885

“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.