SCHEMBL2600540

SCHEMBL2600540

CN(C)C(=O)C(O)c1cncc(-c2cnc3[nH]cc(-c4cccc(F)c4)c3c2C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.39
IGF1R P08069 1/20 0.38
CLK1 P49759 4/20 0.37
DYRK1A Q13627 4/20 0.37
LRRK2 Q5S007 3/20 0.36
STK4 Q13043 1/20 0.36
STK3 Q13188 1/20 0.36
KCNA5 P22460 1/20 0.36
KCNH2 Q12809 1/20 0.36
ROCK2 O75116 2/20 0.35
ROCK1 Q13464 1/20 0.35
CDC42BPB Q9Y5S2 1/20 0.35
KIT P10721 1/20 0.35
CDC7 O00311 1/20 0.35
MAP4K4 O95819 1/20 0.35
PIM1 P11309 1/20 0.35
PRKACA P17612 1/20 0.35
CDK2 P24941 1/20 0.35
GSK3B P49841 1/20 0.35
HIPK2 Q9H2X6 1/20 0.35

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
SCHEMBL2600563 0.91 LRRK2 (0.38) JAK3IGF1RDYRK1ALRRK2STK3
SCHEMBL2600551 0.85 MAP3K11 (0.43) IGF1RCLK1DYRK1ALRRK2KCNH2
SCHEMBL2115072 0.83 ABL1 (0.50) JAK3CLK1DYRK1ALRRK2STK4
SCHEMBL2600566 0.82 CHEK1 (0.34) ROCK2ROCK1CDC42BPBABL1
SCHEMBL2600575 0.80 MET (0.33) CLK1DYRK1AMAP4K1
SCHEMBL11968620 0.79 RIPK1 (0.55) IGF1RCLK1DYRK1ACDK2NEK1
SCHEMBL2600653 0.78 MAP4K1 (0.43) JAK3CLK1DYRK1AROCK2ROCK1
SCHEMBL2600670 0.78 MAP4K1 (0.42) IGF1RLRRK2STK4STK3ROCK2
SCHEMBL2600572 0.77 MAP4K1 (0.45) JAK3LRRK2STK4STK3KIT
SCHEMBL2600644 0.75 MAP4K1 (0.39) JAK3DYRK1ALRRK2STK3ROCK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158647-B2 Substituted pyrrolopyridines and pyrazolopyridines as kinase modulators SGX PHARMACEUTICALS, INC. (US) 2012-04-17 US disclosed
US-20090005356-A1 SUBSTITUTED PYRROLOPYRIDINES AND PYRAZOLOPYRIDINES AS KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2009-01-01 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-20090005356-A1 SUBSTITUTED PYRROLOPYRIDINES AND PYRAZOLOPYRIDINES AS KINASE MODULATORS PDXK, MAP3K4, PDPK1 JAK3 90/4885IGF1R 1011/4885CLK1 768/4885

“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.