SCHEMBL16508795

SCHEMBL16508795

COC[C@H](C)Oc1cc(OCCc2ccccn2)c2[nH]nc(Nc3nccs3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GCK P35557 5/20 0.38
KCNH2 Q12809 1/20 0.38
GRM4 Q14833 1/20 0.35
ALK Q9UM73 1/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
LRRK2 Q5S007 1/20 0.32
SCN1A P35498 2/20 0.31
SCN5A Q14524 2/20 0.31
SCN8A Q9UQD0 2/20 0.31
NR1I2 O75469 1/20 0.31
SCN1B Q07699 1/20 0.31
CHEK1 O14757 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
Hydrochloric Acid SCHEMBL16495393 0.99 GCK (0.38) GCKKCNH2GRM4ALKKMT2A
SCHEMBL2668101 0.92 GRM4 (0.37) GCKGRM4ALKKMT2AALDH1A1
SCHEMBL2668191 0.83 GRM4 (0.37) GCKGRM4ALKKMT2AMEN1
SCHEMBL9072743 0.83 GCK (0.38) GCKGRM4KMT2AMEN1ALDH1A1
SCHEMBL2662227 0.82 MEN1 (0.36) GCKGRM4ALKKMT2AMEN1
SCHEMBL2668187 0.82 ALDH1A1 (0.35) GCKKMT2AMEN1ALDH1A1CHEK1
SCHEMBL2668188 0.82 CHEK1 (0.35) LRRK2CHEK1
SCHEMBL9072642 0.78 JAK2 (0.40) GCKGRM4KMT2AMEN1ALDH1A1
SCHEMBL2660466 0.76 LRRK2 (0.49) GCKKCNH2GRM4LRRK2
SCHEMBL2668239 0.75 GCK (0.42) GCKGRM4ALKKMT2AMEN1

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 1 patent. 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

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 GCK 2/4885KCNH2 437/4885GRM4 2714/4885

“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.