SCHEMBL2836643

SCHEMBL2836643

Cc1ccc(Sc2cc(C=O)nn2-c2ccccc2Cl)nc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.36
MAPK11 Q15759 4/20 0.36
GCK P35557 2/20 0.35
NOTUM Q6P988 1/20 0.34
LMNA P02545 2/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
MAPT P10636 1/20 0.32
RIPK1 Q13546 1/20 0.32
PDE4B Q07343 1/20 0.32
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
OPRM1 P35372 1/20 0.31
MAPK13 O15264 2/20 0.31
MAPK12 P53778 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KCNH2 Q12809 1/20 0.30
GSK3B P49841 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
SCHEMBL2843464 0.81 CDK4 (0.36) MAPK14MAPK11NOTUMLMNAKMT2A
SCHEMBL2839606 0.78 SLC6A4 (0.38) MAPK14MAPK11GCKNOTUMLMNA
SCHEMBL3698070 0.78 MAPK14 (0.34) MAPK14MAPK11LMNACDK4CCND1
SCHEMBL2841090 0.76 NFE2L2 (0.35) MAPK14MAPK11CDK4CCND1PDE4B
SCHEMBL4125824 0.76 SLC16A3 (0.38) GCKMAPTPDE4BKCNH2
SCHEMBL4125828 0.76 P2RX7 (0.39) GCKKMT2AMAPTRIPK1PDE4B
SCHEMBL3693373 0.75 MAPK11 (0.34) MAPK14MAPK11KMT2ACDK4CCND1
SCHEMBL4126088 0.75 ALDH1A1 (0.35) MAPK14MAPK11RIPK1PDE4BSMN1; SMN2
SCHEMBL3697515 0.75 MAPT (0.36) MAPK14MAPK11LMNAKMT2ACDK4
SCHEMBL3705315 0.73 MAPK11 (0.36) MAPK14MAPK11LMNATMEM97SIGMAR1

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 MAPK14 1238/4885MAPK11 1348/4885GCK 420/4885
US-20100210696-A1 5-MEMBERED HETEROCYCLIC COMPOUND NPY4R, NPY5R, NPY1R MAPK14 2319/4885MAPK11 2105/4885GCK 1973/4885

“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.