SCHEMBL2600517

SCHEMBL2600517

Cc1cnc2[nH]cc(C)c2c1CF

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.35
ROCK1 Q13464 2/20 0.35
CDC42BPB Q9Y5S2 2/20 0.35
TRPA1 O75762 1/20 0.35
CCNK O75909 1/20 0.34
CDK12 Q9NYV4 1/20 0.34
CDC42BPA Q5VT25 1/20 0.33
AKT1 P31749 3/20 0.33
BTK Q06187 1/20 0.33
ITK Q08881 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
AXL P30530 1/20 0.32
PRKCI P41743 1/20 0.32
KHK P50053 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
LIMK1 P53667 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
SCHEMBL2600508 0.75 ROCK2 (0.39) ROCK2ROCK1CDC42BPBTRPA1CCNK
SCHEMBL16022948 0.74 MAP4K1 (0.38) ROCK2ROCK1CDC42BPBTRPA1CCNK
SCHEMBL2600506 0.72 AXL (0.50) ROCK2ROCK1CDC42BPBTRPA1CCNK
SCHEMBL2600520 0.72 AKT1 (0.38) ROCK2ROCK1CDC42BPBTRPA1CCNK
SCHEMBL2600511 0.72 ROCK2 (0.37) ROCK2ROCK1CDC42BPBTRPA1CCNK
SCHEMBL2600518 0.71 ROCK2 (0.35) ROCK2ROCK1CDC42BPBTRPA1CCNK
SCHEMBL2600519 0.71 ROCK2 (0.35) ROCK2ROCK1CDC42BPBTRPA1CCNK
SCHEMBL9923355 0.68 MAP4K1 (0.34) ROCK2ROCK1CDC42BPBCDC42BPAIRAK4
SCHEMBL2600521 0.68 TRPA1 (0.35) ROCK2ROCK1CDC42BPBTRPA1CCNK
SCHEMBL2600504 0.68 LRRK2 (0.39) ROCK2ROCK1CDC42BPBTRPA1CCNK

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 ROCK2 817/4885ROCK1 678/4885CDC42BPB 264/4885

“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.