SCHEMBL2600575

SCHEMBL2600575

CN(C)C(=O)C(O)c1cncc(-c2cnc3[nH]cc(-c4csc(N)n4)c3c2C(F)(F)F)c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.33
MAP4K1 Q92918 4/20 0.32
CLK1 P49759 1/20 0.31
DYRK1A Q13627 1/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL2600563 0.83 LRRK2 (0.38) DYRK1A
SCHEMBL2600551 0.80 MAP3K11 (0.43) METCLK1DYRK1A
SCHEMBL2600540 0.80 JAK3 (0.39) MAP4K1CLK1DYRK1A
SCHEMBL2115072 0.79 ABL1 (0.50) MAP4K1CLK1DYRK1A
SCHEMBL2600555 0.78 MAP4K1 (0.40) MAP4K1RAB9A
SCHEMBL2600566 0.76 CHEK1 (0.34)
SCHEMBL5064620 0.70 ABL1 (0.43) MAP4K1CLK1DYRK1A
SCHEMBL11968645 0.70 SGK1 (0.49) CLK1DYRK1A
SCHEMBL2600653 0.70 MAP4K1 (0.43) MAP4K1CLK1DYRK1A
SCHEMBL2600670 0.69 MAP4K1 (0.42) MAP4K1

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 MET 1815/4885MAP4K1 16/4885CLK1 768/4885

“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.