SCHEMBL5583100

SCHEMBL5583100

CC(C)Oc1ccc2[nH]nc(NC(N)=S)c2c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.43
GSK3B P49841 1/20 0.43
LRRK2 Q5S007 12/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
NTRK1 P04629 1/20 0.41
FGFR4 P22455 3/20 0.41
GLA P06280 1/20 0.40
FGFR1 P11362 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR3 P22607 1/20 0.40

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
SCHEMBL5583102 0.86 LRRK2 (0.45) LRRK2
SCHEMBL2662113 0.85 MEN1 (0.55) HDAC6MEN1ALDH1A1CYP1A2MAPT
SCHEMBL26399504 0.81 LRRK2 (0.46) GSK3BLRRK2
SCHEMBL2660578 0.80 GSK3B (0.46) GSK3BMEN1ALDH1A1CYP1A2MAPT
SCHEMBL14403927 0.80 HTR1B (0.44) HDAC6GSK3BMEN1ALDH1A1CYP1A2
SCHEMBL2662003 0.77 GSK3B (0.43) GSK3BMEN1ALDH1A1CYP1A2MAPT
SCHEMBL2660835 0.77 NTRK1 (0.49) GSK3BLRRK2MEN1CYP1A2MAPT
SCHEMBL2661165 0.76 BTK (0.51) LRRK2
SCHEMBL5582911 0.76 MEN1 (0.54) GSK3BMEN1CYP1A2MAPTCYP2C19
SCHEMBL2660218 0.75 PDPK1 (0.54) GSK3BNTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070244169-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-10-18 US disclosed
US-20070244169-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-10-18 US disclosed
US-20070244169-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-10-18 US 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-20070244169-A1 GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 HDAC6 1587/4885GSK3B 928/4885LRRK2 3034/4885

“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.