SCHEMBL2114679

SCHEMBL2114679

CN(C)C(=O)c1cncc(-c2cnc3[nH]cc(-c4ccccc4)c3c2Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.53
MAP4K1 Q92918 2/20 0.49
IGF1R P08069 7/20 0.46
CYP3A4 P08684 1/20 0.44
LRRK2 Q5S007 1/20 0.42
SGK1 O00141 2/20 0.42
AXL P30530 4/20 0.41
MAP4K4 O95819 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41
PRKD3 O94806 1/20 0.41
EGFR P00533 1/20 0.41
NTRK1 P04629 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
FLT3 P36888 1/20 0.41
FRK P42685 1/20 0.41
CLK2 P49760 1/20 0.41
MAP4K2 Q12851 1/20 0.41

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
SCHEMBL2115474 0.90 ABL1 (0.54) ABL1MAP4K1IGF1RCYP3A4TNIK
SCHEMBL2602517 0.88 ABL1 (0.52) ABL1MAP4K1IGF1RCYP3A4TNIK
SCHEMBL2114124 0.88 ABL1 (0.52) ABL1MAP4K1IGF1RCYP3A4AXL
SCHEMBL2600532 0.86 ABL1 (0.70) ABL1MAP4K1IGF1RLRRK2JAK2
SCHEMBL2112402 0.86 ABL1 (0.51) ABL1MAP4K1IGF1RCYP3A4TNIK
SCHEMBL2112405 0.84 ABL1 (0.49) ABL1MAP4K1IGF1RCYP3A4LRRK2
SCHEMBL2600670 0.84 MAP4K1 (0.42) ABL1MAP4K1IGF1RLRRK2SGK1
SCHEMBL2600669 0.84 MAP4K1 (0.44) ABL1MAP4K1IGF1RLRRK2SGK1
SCHEMBL2113210 0.84 ABL1 (0.45) ABL1MAP4K1IGF1RCYP3A4FYN
SCHEMBL2114920 0.83 ABL1 (0.49) ABL1MAP4K1IGF1RCYP3A4LRRK2

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-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-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 ABL1 862/4885MAP4K1 16/4885IGF1R 1011/4885

“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.