SCHEMBL2662003

SCHEMBL2662003

CC(C)Sc1ccc2[nH]nc(NC(N)=S)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.43
NTRK1 P04629 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 3/20 0.36
CYP2C19 P33261 3/20 0.36
GSK3A P49840 2/20 0.36
LMNA P02545 1/20 0.36
HIF1A Q16665 1/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2C9 P11712 1/20 0.36
CDK2 P24941 6/20 0.34
DYRK1A Q13627 4/20 0.34
ALDH1A1 P00352 1/20 0.34
CDK1 P06493 3/20 0.34
CDK7 P50613 2/20 0.34
CDK4 P11802 1/20 0.34
PLK4 O00444 2/20 0.32
MAPK13 O15264 2/20 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
SCHEMBL2660858 0.84 GSK3B (0.40) GSK3BNTRK1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL2660578 0.80 GSK3B (0.46) GSK3BNTRK1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL2660835 0.77 NTRK1 (0.49) GSK3BNTRK1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL5583100 0.77 HDAC6 (0.43) GSK3BNTRK1CYP1A2CYP2C19MEN1
SCHEMBL2661024 0.76 JAK2 (0.50) GSK3BNTRK1GSK3ACDK2DYRK1A
SCHEMBL2660083 0.75 FADS1 (0.54) GSK3BNTRK1SMN1; SMN2JAK2
SCHEMBL2660218 0.75 PDPK1 (0.54) GSK3BNTRK1SMN1; SMN2GSK3ACDK2
SCHEMBL2662113 0.75 MEN1 (0.55) NTRK1SMN1; SMN2CYP1A2CYP2C19MEN1
SCHEMBL2662164 0.75 NTRK1 (0.52) GSK3BNTRK1SMN1; SMN2GSK3AMAPT
SCHEMBL2661484 0.73 NTRK1 (0.50) GSK3BNTRK1SMN1; SMN2GSK3ACDK2

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 4 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
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 GSK3B 2134/4885NTRK1 1997/4885SMN1; SMN2 4037/4885

“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.