SCHEMBL2656840

SCHEMBL2656840

COc1cc(B2OC(C)(C)C(C)(C)O2)cc(C#N)c1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPKAPK2 P49137 1/20 0.34
CSF1R P07333 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
ESR2 Q92731 1/20 0.33
LPL P06858 3/20 0.31
LIPG Q9Y5X9 3/20 0.31
SNCA P37840 1/20 0.30
IMPDH2 P12268 1/20 0.30
IMPDH1 P20839 1/20 0.30
AR P10275 2/20 0.30
CA12 O43570 1/20 0.30
CA3 P07451 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 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
SCHEMBL16655447 0.84 FPR2 (0.37) KDM4EUSP2ALDH1A1CSF1RCA1
SCHEMBL9947925 0.84 LPL (0.37) KDM4EUSP2ALDH1A1CSF1RCA1
SCHEMBL16494801 0.81 ESR2 (0.35) CA1CA2CA9ESR2LPL
SCHEMBL1667913 0.79 ALDH1A1 (0.49) KDM4EUSP2ALDH1A1CSF1RCA1
SCHEMBL421663 0.79 AR (0.43) KDM4EUSP2ALDH1A1CSF1RESR2
SCHEMBL14764291 0.79 HTR2A (0.33) KDM4EUSP2ALDH1A1CSF1RESR2
SCHEMBL30124524 0.78 GAA (0.36) ALDH1A1CSF1RCA1CA2CA9
SCHEMBL14883810 0.76 AR (0.33) ESR2LPLLIPGAR
SCHEMBL21772422 0.74 LPL (0.36) CA1CA2CA9ESR2LPL
SCHEMBL30827381 0.74 LPL (0.36) KDM4ECSF1RCA1CA2CA9

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 KDM4E 1179/4885USP2 4277/4885ALDH1A1 2440/4885

“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.