SCHEMBL2843464

SCHEMBL2843464

Cc1cccc(Sc2cc(C=O)nn2-c2ccccc2Cl)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.36
CCND1 P24385 2/20 0.36
MAPK11 Q15759 2/20 0.34
MAPK14 Q16539 2/20 0.34
NOTUM Q6P988 1/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPK1 P28482 1/20 0.34
MAPT P10636 2/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
PDE4B Q07343 1/20 0.32
KDM4E B2RXH2 2/20 0.32
NPC1 O15118 1/20 0.32
MITF O75030 1/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL2841090 0.86 NFE2L2 (0.35) CDK4CCND1MAPK11MAPK14SMN1; SMN2
SCHEMBL2836643 0.81 MAPK14 (0.36) CDK4CCND1MAPK11MAPK14NOTUM
SCHEMBL3698070 0.79 MAPK14 (0.34) CDK4CCND1MAPK11MAPK14LMNA
SCHEMBL2838853 0.78 SLC6A4 (0.39) CDK4CCND1MAPK11MAPK14NOTUM
SCHEMBL2838633 0.77 PDE4B (0.49) LMNAALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL3693373 0.76 MAPK11 (0.34) CDK4CCND1MAPK11MAPK14ALDH1A1
SCHEMBL3701339 0.75 LMNA (0.36) LMNAALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL3701337 0.75 SLC16A3 (0.36) LMNAHTTPDE4B
SCHEMBL3697515 0.74 MAPT (0.36) CDK4CCND1MAPK11MAPK14LMNA
SCHEMBL3705315 0.72 MAPK11 (0.36) MAPK11MAPK14LMNATP53TMEM97

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 CDK4 1712/4885CCND1 3534/4885MAPK11 1348/4885
US-20100210696-A1 5-MEMBERED HETEROCYCLIC COMPOUND NPY4R, NPY5R, NPY1R CDK4 1141/4885CCND1 2174/4885MAPK11 2105/4885

“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.