SCHEMBL3698170

SCHEMBL3698170

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 4/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
DHODH Q02127 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNQ3 O43525 4/20 0.35
KCNQ2 O43526 4/20 0.35
KCNE1 P15382 3/20 0.35
KCNQ1 P51787 3/20 0.35
NPY5R Q15761 1/20 0.35
BAZ2B Q9UIF8 1/20 0.34
NTRK1 P04629 5/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BRAF P15056 1/20 0.33
KDR P35968 1/20 0.33
RIPK1 Q13546 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
SCHEMBL3694337 0.92 MALT1 (0.35) MALT1NFKB1NFKB2RELAMEN1
SCHEMBL3690286 0.91 KCNQ3 (0.40) MALT1NFKB1NFKB2RELAMEN1
SCHEMBL3694760 0.88 MALT1 (0.39) MALT1NFKB1NFKB2RELADHODH
SCHEMBL3694848 0.86 SCN9A (0.41) MALT1NFKB1NFKB2RELAMEN1
SCHEMBL3712710 0.85 CNR1 (0.43) MALT1NFKB1NFKB2RELAKMT2A
SCHEMBL3697504 0.85 MAPT (0.39) KMT2ARAB9ASMN1; SMN2
SCHEMBL3702068 0.85 KCNQ3 (0.39) MALT1NFKB1NFKB2RELAMEN1
SCHEMBL3691798 0.85 KCNQ3 (0.37) MALT1NFKB1NFKB2RELAMEN1
SCHEMBL3694274 0.85 NTRK1 (0.36) MALT1NFKB1NFKB2RELAMEN1
SCHEMBL3702208 0.84 MALT1 (0.35) MALT1NFKB1NFKB2RELAMEN1

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 MALT1 3172/4885NFKB1 1529/4885NFKB2 2470/4885

“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.