SCHEMBL2600632

SCHEMBL2600632

CN(C)C(=O)C(O)c1cncc(-c2cnc3[nH]cc(-c4ccccc4F)c3c2Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 1/20 0.40
JAK3 P52333 3/20 0.39
ABL1 P00519 2/20 0.38
GRIN2B Q13224 3/20 0.35
CTSA P10619 2/20 0.34
AXL P30530 2/20 0.34
GSK3B P49841 2/20 0.34
MAPT P10636 1/20 0.34
PIM1 P11309 2/20 0.33
DYRK3 O43781 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
EGFR P00533 1/20 0.33
NTRK1 P04629 1/20 0.33
PRKCG P05129 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
CDK1 P06493 1/20 0.33
FES P07332 1/20 0.33
CSF1R P07333 1/20 0.33

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
SCHEMBL2600644 0.93 MAP4K1 (0.39) MAP4K1JAK3ABL1GRIN2BCTSA
SCHEMBL2112212 0.91 MAP4K1 (0.41) MAP4K1ABL1CTSAGSK3BROCK1
SCHEMBL2112324 0.89 JAK3 (0.40) MAP4K1JAK3ABL1CTSAAXL
SCHEMBL2600670 0.89 MAP4K1 (0.42) MAP4K1ABL1AXLGSK3BPIM1
SCHEMBL2113615 0.88 ABL1 (0.52) MAP4K1JAK3ABL1CTSASTK4
SCHEMBL2600653 0.87 MAP4K1 (0.43) MAP4K1JAK3ABL1GSK3BCLK2
SCHEMBL2600638 0.86 PIM1 (0.36) MAP4K1GRIN2BCTSAGSK3BMAPT
SCHEMBL2600671 0.86 MAP4K1 (0.43) MAP4K1JAK3ABL1GRIN2BAXL
SCHEMBL2112218 0.85 MAP4K1 (0.39) MAP4K1JAK3ABL1ROCK1CLK1
SCHEMBL2114124 0.85 ABL1 (0.52) MAP4K1JAK3ABL1GRIN2BCTSA

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-8158647-B2 Substituted pyrrolopyridines and pyrazolopyridines as kinase modulators SGX PHARMACEUTICALS, INC. (US) 2012-04-17 US disclosed
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
US-20090005356-A1 SUBSTITUTED PYRROLOPYRIDINES AND PYRAZOLOPYRIDINES AS KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2009-01-01 US disclosed
WO-2008150914-A1 SUBSTITUTED PYRROLOPYRIDINES AND PYRAZOLOPYRIDINES AS KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-12-11 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-20090005356-A1 SUBSTITUTED PYRROLOPYRIDINES AND PYRAZOLOPYRIDINES AS KINASE MODULATORS PDXK, MAP3K4, PDPK1 MAP4K1 16/4885JAK3 90/4885ABL1 862/4885

“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.