SCHEMBL2600637

SCHEMBL2600637

COc1ccccc1-c1n[nH]c2ncc(-c3cncc(C(O)C(=O)N(C)C)c3)c(Cl)c12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.41
CTSA P10619 7/20 0.38
MAP4K1 Q92918 2/20 0.34
LRRK2 Q5S007 1/20 0.34
FGFR2 P21802 1/20 0.32
CHRNA7 P36544 1/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
FYN P06241 1/20 0.32
CLK1 P49759 1/20 0.32
DYRK1A Q13627 1/20 0.32
KCNH2 Q12809 1/20 0.32
GRIN2B Q13224 1/20 0.32

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
SCHEMBL2600638 0.88 PIM1 (0.36) CTSAMAP4K1DYRK1AGRIN2B
SCHEMBL2600639 0.88 MAP4K1 (0.35) ABL1MAP4K1FYN
SCHEMBL2113615 0.86 ABL1 (0.52) ABL1CTSAMAP4K1LRRK2CLK1
SCHEMBL5067418 0.84 ABL1 (0.51) ABL1CTSAMAP4K1LRRK2FGFR2
SCHEMBL2600592 0.79 ABL1 (0.42) ABL1CTSAMAP4K1LRRK2ROCK2
SCHEMBL2600613 0.79 ABL1 (0.53) ABL1CTSAMAP4K1LRRK2CLK1
SCHEMBL2600635 0.79 ABL1 (0.53) ABL1CTSAMAP4K1LRRK2CLK1
SCHEMBL2112187 0.79 ABL1 (0.53) ABL1CTSAMAP4K1LRRK2CLK1
SCHEMBL2113505 0.78 ABL1 (0.52) ABL1CTSAMAP4K1LRRK2
SCHEMBL2600614 0.78 ABL1 (0.52) ABL1CTSAMAP4K1LRRK2

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 ABL1 862/4885CTSA 2965/4885MAP4K1 16/4885

“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.