SCHEMBL2661587

SCHEMBL2661587

Nc1n[nH]c2ccc(-c3ccsc3)cc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.64
TYK2 P29597 3/20 0.50
JAK3 P52333 3/20 0.50
CHEK1 O14757 1/20 0.50
JAK1 P23458 1/20 0.50
KCNH2 Q12809 1/20 0.50
PLK4 O00444 2/20 0.49
DAPK3 O43293 2/20 0.49
DYRK3 O43781 2/20 0.49
ROCK2 O75116 2/20 0.49
MAP4K4 O95819 2/20 0.49
CDK1 P06493 2/20 0.49
CDK2 P24941 2/20 0.49
MARK3 P27448 2/20 0.49
CLK2 P49760 2/20 0.49
CDK5 Q00535 2/20 0.49
PRKCD Q05655 2/20 0.49
ROCK1 Q13464 2/20 0.49
DYRK1A Q13627 2/20 0.49
PKN2 Q16513 2/20 0.49

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
SCHEMBL4489337 0.87 PDPK1 (0.64) JAK2JAK3CHEK1KCNH2CDK2
SCHEMBL10213929 0.84 JAK2 (0.81) JAK2TYK2JAK3JAK1PLK4
SCHEMBL31690865 0.78 JAK2 (1.00) JAK2TYK2JAK3JAK1PLK4
SCHEMBL2661883 0.77 GSK3B (0.54) JAK2TYK2JAK3CHEK1KCNH2
SCHEMBL12907246 0.76 JAK2 (1.00) JAK2TYK2JAK3JAK1PLK4
SCHEMBL3359889 0.76 JAK2 (1.00) JAK2TYK2JAK3JAK1PLK4
SCHEMBL31318479 0.75 KCNH2 (0.50) CHEK1KCNH2
SCHEMBL26886503 0.75 PDPK1 (0.74) JAK2TYK2JAK3JAK1PLK4
SCHEMBL2662433 0.75 JAK2 (0.56) JAK2TYK2JAK3CHEK1JAK1
SCHEMBL12907187 0.75 JAK2 (0.72) JAK2TYK2JAK3JAK1PLK4

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
US-20110301155-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-08 US disclosed
US-20110301155-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-08 US disclosed
US-20110301155-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-08 US disclosed
EP-2157859-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE Takeda Pharmaceutical Company Limited (JP) 2010-03-03 EP disclosed
WO-2008156757-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-24 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-20110301155-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE GCKR, GCK, KHK JAK2 655/4885TYK2 136/4885JAK3 781/4885

“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.