SCHEMBL2600533

SCHEMBL2600533

COc1ccncc1-c1c[nH]c2ncc(-c3cncc(C(=O)N(C)C)c3)c(C(F)(F)F)c12

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.54
GPBAR1 Q8TDU6 11/20 0.40
POLQ O75417 1/20 0.38
MAP4K1 Q92918 1/20 0.38
CYP17A1 P05093 1/20 0.38
CLK1 P49759 2/20 0.38
CLK2 P49760 1/20 0.38
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
CDC42BPB Q9Y5S2 1/20 0.37
DYRK1A Q13627 1/20 0.36

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
SCHEMBL2600536 0.91 ABL1 (0.48) ABL1GPBAR1POLQMAP4K1
SCHEMBL2600530 0.90 ABL1 (0.67) ABL1GPBAR1MAP4K1CLK1DYRK1A
SCHEMBL2600564 0.88 ABL1 (0.58) ABL1POLQMAP4K1CLK1CLK2
SCHEMBL2600556 0.88 ABL1 (0.58) ABL1POLQMAP4K1CLK1CLK2
SCHEMBL2600552 0.87 ABL1 (0.57) ABL1POLQMAP4K1CLK1CLK2
SCHEMBL2600545 0.85 ABL1 (0.55) ABL1POLQMAP4K1CLK1CLK2
SCHEMBL2600554 0.84 ABL1 (0.54) ABL1POLQMAP4K1CLK1CLK2
SCHEMBL2600527 0.81 ABL1 (0.57) ABL1GPBAR1MAP4K1
SCHEMBL2600544 0.79 ABL1 (0.51) ABL1POLQMAP4K1ROCK2ROCK1
SCHEMBL2600562 0.79 ABL1 (0.51) ABL1POLQMAP4K1CLK1CLK2

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 862/4885GPBAR1 3084/4885POLQ 3481/4885

“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.