SCHEMBL2840457

SCHEMBL2840457

CNC(=O)c1cc(Sc2ccc(Cl)nc2)n(-c2ccccc2Cl)n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
BRD4 O60885 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
NTRK1 P04629 6/20 0.36
RIPK1 Q13546 1/20 0.36
CYP2C9 P11712 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
MAPK14 Q16539 1/20 0.35
TDO2 P48775 1/20 0.35
BAZ2B Q9UIF8 1/20 0.34
NPY5R Q15761 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
SCHEMBL3695465 0.91 MALT1 (0.40) MALT1MEN1KMT2ABRD4NFKB1
SCHEMBL3694760 0.90 MALT1 (0.39) MALT1MEN1KMT2ABRD4NFKB1
SCHEMBL3698652 0.87 NTRK1 (0.39) MALT1MEN1KMT2ABRD4NFKB1
SCHEMBL3691798 0.86 KCNQ3 (0.37) MALT1MEN1KMT2ABRD4NFKB1
SCHEMBL3694274 0.86 NTRK1 (0.36) MALT1MEN1KMT2ABRD4NFKB1
SCHEMBL3702208 0.85 MALT1 (0.35) MALT1MEN1KMT2ABRD4NFKB1
SCHEMBL3694848 0.85 SCN9A (0.41) MALT1MEN1KMT2ANFKB1NFKB2
SCHEMBL3712710 0.83 CNR1 (0.43) MALT1KMT2ANFKB1NFKB2RELA
SCHEMBL2838638 0.83 PDE4B (0.48) MEN1KMT2A
SCHEMBL3690286 0.83 KCNQ3 (0.40) MALT1MEN1KMT2ANFKB1NFKB2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3162798-A1 5-MEMBERED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-05-03 EP disclosed
EP-2196459-B1 5-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2016-11-02 EP disclosed
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
US-8334301-B2 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-18 US disclosed
US-20100210696-A1 5-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-19 US disclosed
EP-2196459-A1 5-MEMBERED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-06-16 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 (2 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 3172/4885MEN1 1910/4885KMT2A 4776/4885
US-20100210696-A1 5-MEMBERED HETEROCYCLIC COMPOUND NPY4R, NPY5R, NPY1R MALT1 2081/4885MEN1 3284/4885KMT2A 4103/4885

“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.