SCHEMBL2661609

SCHEMBL2661609

CNCc1cnc(Nc2n[nH]c3c(OCCc4ccccn4)cc(-c4ncccc4Cl)cc23)s1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.49
JAK1 P23458 1/20 0.49
TYK2 P29597 1/20 0.49
JAK3 P52333 1/20 0.49
HPGD P15428 1/20 0.33
CHEK1 O14757 1/20 0.32
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
PDE10A Q9Y233 1/20 0.32
IDH1 O75874 1/20 0.31
KDR P35968 3/20 0.31
EIF2AK1 Q9BQI3 2/20 0.31
GCK P35557 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
SCHEMBL2668316 0.92 JAK2 (0.52) JAK2JAK1TYK2JAK3HPGD
SCHEMBL2661442 0.91 JAK2 (0.48) JAK2JAK1TYK2JAK3HPGD
SCHEMBL9072745 0.91 JAK2 (0.51) JAK2JAK1TYK2JAK3HPGD
SCHEMBL16495160 0.89 JAK2 (0.52) JAK2JAK1TYK2JAK3HPGD
SCHEMBL16495374 0.89 JAK2 (0.47) JAK2JAK1TYK2JAK3HPGD
SCHEMBL16495293 0.89 JAK2 (0.65) JAK2JAK1TYK2JAK3HPGD
SCHEMBL16508704 0.88 JAK2 (0.54) JAK2JAK1TYK2JAK3HPGD
SCHEMBL16495285 0.87 JAK2 (0.52) JAK2JAK1TYK2JAK3HPGD
SCHEMBL16495288 0.87 JAK2 (0.53) JAK2JAK1TYK2JAK3HPGD
SCHEMBL2661189 0.86 TYK2 (0.46) JAK2JAK1TYK2JAK3EGFR

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
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
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 655/4885JAK1 1407/4885TYK2 136/4885

“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.