SCHEMBL2600554

SCHEMBL2600554

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.54
MAP4K1 Q92918 2/20 0.38
POLQ O75417 1/20 0.38
CLK1 P49759 3/20 0.38
CLK2 P49760 1/20 0.38
ROCK2 O75116 2/20 0.37
ROCK1 Q13464 2/20 0.37
CDC42BPB Q9Y5S2 2/20 0.37
CCNT1 O60563 3/20 0.36
CDK9 P50750 3/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
NTRK1 P04629 1/20 0.36
DYRK1A Q13627 3/20 0.36
NEK1 Q96PY6 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
SCHEMBL2600548 0.91 ABL1 (0.48) ABL1MAP4K1POLQNEK1LRRK2
SCHEMBL2600570 0.90 ABL1 (0.67) ABL1MAP4K1POLQLRRK2CYP3A4
SCHEMBL2600564 0.88 ABL1 (0.58) ABL1MAP4K1POLQCLK1CLK2
SCHEMBL2600556 0.88 ABL1 (0.58) ABL1MAP4K1POLQCLK1CLK2
SCHEMBL2600552 0.87 ABL1 (0.57) ABL1MAP4K1POLQCLK1CLK2
SCHEMBL2600545 0.85 ABL1 (0.55) ABL1MAP4K1POLQCLK1CLK2
SCHEMBL2600533 0.84 ABL1 (0.54) ABL1MAP4K1POLQCLK1CLK2
SCHEMBL2600568 0.81 ABL1 (0.57) ABL1MAP4K1CLK2ROCK2ROCK1
SCHEMBL2600544 0.79 ABL1 (0.51) ABL1MAP4K1POLQROCK2ROCK1
SCHEMBL2600562 0.79 ABL1 (0.51) ABL1MAP4K1POLQCLK1CLK2

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 16/4885POLQ 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.