SCHEMBL5582864

SCHEMBL5582864

CC(C)(C)[Si](C)(C)OCc1ccc2[nH]nc(N)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 0.43
PDPK1 O15530 2/20 0.43
JAK3 P52333 4/20 0.39
CDK2 P24941 4/20 0.39
CLK4 Q9HAZ1 4/20 0.39
ROCK2 O75116 3/20 0.39
MAP4K4 O95819 3/20 0.39
AURKB Q96GD4 3/20 0.39
MKNK2 Q9HBH9 3/20 0.39
CDC7 O00311 3/20 0.39
TYK2 P29597 3/20 0.39
LIMK1 P53667 3/20 0.39
ROCK1 Q13464 3/20 0.39
PRKACA P17612 2/20 0.39
KDR P35968 2/20 0.39
GSK3B P49841 2/20 0.39
HIPK2 Q9H2X6 2/20 0.39
PLK4 O00444 2/20 0.39
DAPK3 O43293 2/20 0.39
DYRK3 O43781 2/20 0.39

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
SCHEMBL25097635 0.85 CNR2 (0.33) NTRK1
SCHEMBL25097632 0.82 NTRK1 (0.40) NTRK1
SCHEMBL16534159 0.81 KDM4E (0.50) CDC7GSK3BDYRK1ANTRK1KDM4E
SCHEMBL2660555 0.80 NTRK1 (0.44) CDK2AURKBGSK3BCDK1NTRK1
SCHEMBL1696402 0.74 JAK2 (0.55) JAK2PDPK1JAK3CDK2CLK4
SCHEMBL25097633 0.73 NOS1 (0.45) JAK2CDK2CLK4ROCK2AURKB
SCHEMBL7214708 0.72 JAK2 (0.56) JAK2PDPK1JAK3CDK2CLK4
SCHEMBL133816 0.72 MAOB (0.39) MAPK1CYP3A4GAA
SCHEMBL2865322 0.72 ALDH1A1 (0.37) KDM4ECYP3A4GAA
SCHEMBL5454226 0.72 SKP2 (0.44) MAPK1KDM4ECYP3A4

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-20070244169-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-10-18 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-20070244169-A1 GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 JAK2 2370/4885PDPK1 148/4885JAK3 4002/4885

“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.