SCHEMBL2661900

SCHEMBL2661900

CC(C)S(=O)(=O)c1cc(OCCc2ccccn2)c2[nH]nc(Nc3ncc(CN4CCOCC4)s3)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 6/20 0.36
MAPK14 Q16539 1/20 0.36
SMO Q99835 1/20 0.36
TYK2 P29597 2/20 0.34
SYK P43405 1/20 0.34
BRSK1 Q8TDC3 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
OGA O60502 1/20 0.34
MAP2K1 Q02750 1/20 0.34
AURKB Q96GD4 1/20 0.34
TSHR P16473 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
ALK Q9UM73 2/20 0.32
INSR P06213 1/20 0.32
KDR P35968 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
EGFR P00533 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
SCHEMBL2668292 0.84 MEN1 (0.35) TYK2JAK2JAK1JAK3MEN1
SCHEMBL2661189 0.84 TYK2 (0.46) AURKAMAPK14SMOTYK2SYK
SCHEMBL2662227 0.81 MEN1 (0.36) ALKMEN1KMT2A
SCHEMBL2661591 0.80 MAPK14 (0.40) AURKAMAPK14SMOOGAMAP2K1
SCHEMBL2660971 0.77 MEN1 (0.34) KDRMEN1KMT2A
SCHEMBL2661771 0.74 MEN1 (0.36) MAPK14MEN1KMT2A
SCHEMBL2661609 0.71 JAK2 (0.49) TYK2JAK2JAK1JAK3KDR
SCHEMBL2662203 0.70 HSD17B10 (0.36) MAPK14TSHRMEN1KMT2A
SCHEMBL2668316 0.70 JAK2 (0.52) TYK2JAK2JAK1JAK3KDR
SCHEMBL2661442 0.70 JAK2 (0.48) TYK2JAK2JAK1JAK3

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 AURKA 1458/4885MAPK14 533/4885SMO 1231/4885

“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.