SCHEMBL2600527

SCHEMBL2600527

COc1ccccc1-c1c[nH]c2ncc(-c3cccc(C(=O)N(C)C)c3)c(C(F)(F)F)c12

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.57
MAP4K1 Q92918 2/20 0.49
IGF1R P08069 7/20 0.47
JAK2 O60674 2/20 0.45
JAK3 P52333 2/20 0.45
LRRK2 Q5S007 1/20 0.45
CYP3A4 P08684 1/20 0.44
AXL P30530 1/20 0.43
TNIK Q9UKE5 1/20 0.41
ERN1 O75460 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.41
PDK2 Q15119 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
SCHEMBL2600530 0.91 ABL1 (0.67) ABL1MAP4K1IGF1RJAK2JAK3
SCHEMBL2600536 0.90 ABL1 (0.48) ABL1MAP4K1IGF1RCYP3A4AXL
SCHEMBL2600559 0.87 MAP4K1 (0.68) ABL1MAP4K1JAK2JAK3LRRK2
SCHEMBL2600528 0.87 ABL1 (0.60) ABL1MAP4K1IGF1RJAK2JAK3
SCHEMBL2112267 0.87 ABL1 (0.60) ABL1MAP4K1IGF1RJAK2JAK3
SCHEMBL2112147 0.86 ABL1 (0.59) ABL1MAP4K1IGF1RJAK2JAK3
SCHEMBL2600541 0.86 ABL1 (0.59) ABL1MAP4K1IGF1RJAK2JAK3
SCHEMBL2600524 0.84 ABL1 (0.58) ABL1MAP4K1IGF1RJAK2JAK3
SCHEMBL2600568 0.84 ABL1 (0.57) ABL1MAP4K1IGF1RJAK2JAK3
SCHEMBL2600533 0.81 ABL1 (0.54) ABL1MAP4K1GPBAR1

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 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.