SCHEMBL2661189

SCHEMBL2661189

Clc1cccnc1-c1cc(OCCc2ccccn2)c2[nH]nc(Nc3ncc(CN4CCOCC4)s3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 2/20 0.46
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
JAK3 P52333 1/20 0.46
EGFR P00533 2/20 0.37
ERBB2 P04626 1/20 0.36
SYK P43405 1/20 0.35
BRSK1 Q8TDC3 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
AURKA O14965 3/20 0.35
MAPK14 Q16539 1/20 0.35
SMO Q99835 1/20 0.35
GRM4 Q14833 3/20 0.34
PDE5A O76074 1/20 0.34
GAA P10253 1/20 0.33
MAP2K1 Q02750 1/20 0.33
KDR P35968 1/20 0.33
SRC P12931 1/20 0.33
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 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
SCHEMBL2668316 0.87 JAK2 (0.52) TYK2JAK2JAK1JAK3EGFR
SCHEMBL9072745 0.86 JAK2 (0.51) TYK2JAK2JAK1JAK3EGFR
SCHEMBL2661609 0.86 JAK2 (0.49) TYK2JAK2JAK1JAK3EGFR
SCHEMBL2661442 0.85 JAK2 (0.48) TYK2JAK2JAK1JAK3
SCHEMBL16495293 0.84 JAK2 (0.65) TYK2JAK2JAK1JAK3AURKA
SCHEMBL2661900 0.84 AURKA (0.36) TYK2JAK2JAK1JAK3EGFR
SCHEMBL2661215 0.83 JAK2 (0.46) TYK2JAK2JAK1JAK3
SCHEMBL16495374 0.83 JAK2 (0.47) TYK2JAK2JAK1JAK3KDR
SCHEMBL16495160 0.83 JAK2 (0.52) TYK2JAK2JAK1JAK3PDE5A
SCHEMBL16495288 0.82 JAK2 (0.53) TYK2JAK2JAK1JAK3AURKA

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 6 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
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 TYK2 136/4885JAK2 655/4885JAK1 1407/4885

“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.