SCHEMBL2600520

SCHEMBL2600520

Cc1cnc2[nH]cc(C)c2c1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 7/20 0.38
ROCK2 O75116 3/20 0.37
ROCK1 Q13464 2/20 0.37
CDC42BPB Q9Y5S2 2/20 0.37
TRPA1 O75762 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
CCNK O75909 1/20 0.36
CDK12 Q9NYV4 1/20 0.36
CDC42BPA Q5VT25 1/20 0.35
MAP3K6 O95382 1/20 0.35
MAP3K5 Q99683 1/20 0.35
LIMK1 P53667 2/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
AXL P30530 1/20 0.34
PRKCI P41743 1/20 0.34
KHK P50053 1/20 0.33
BTK Q06187 1/20 0.33
KIT P10721 1/20 0.33

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 0.79 ROCK2 (0.39) AKT1ROCK2ROCK1CDC42BPBTRPA1
SCHEMBL2600511 0.76 ROCK2 (0.37) AKT1ROCK2ROCK1CDC42BPBTRPA1
SCHEMBL2600506 0.76 AXL (0.50) AKT1ROCK2ROCK1CDC42BPBTRPA1
SCHEMBL10259826 0.73 AKT1 (0.45) AKT1ROCK2TRPA1IRAK4LIMK1
SCHEMBL20171693 0.72 CHEK1 (0.47) AKT1ROCK2TRPA1IRAK4CCNK
SCHEMBL15155054 0.72 GSK3B (0.35) AKT1ROCK2ROCK1CDC42BPBTRPA1
SCHEMBL2600518 0.72 ROCK2 (0.35) AKT1ROCK2ROCK1CDC42BPBTRPA1
SCHEMBL2600519 0.72 ROCK2 (0.35) AKT1ROCK2ROCK1CDC42BPBTRPA1
SCHEMBL2600517 0.72 ROCK2 (0.35) AKT1ROCK2ROCK1CDC42BPBTRPA1
SCHEMBL2600504 0.72 LRRK2 (0.39) AKT1ROCK2ROCK1CDC42BPBTRPA1

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 AKT1 476/4885ROCK2 817/4885ROCK1 678/4885

“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.