SCHEMBL2600514

SCHEMBL2600514

Cc1cnc2[nH]cc3c2c1CCCC3

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 2/20 0.40
▸ ROCK1 Q13464 2/20 0.40
▸ CDC42BPB Q9Y5S2 2/20 0.40
▸ CDC42BPA Q5VT25 1/20 0.38
▸ DRD4 P21917 1/20 0.31
▸ AXL P30530 1/20 0.31
▸ PRKCI P41743 1/20 0.31
▸ CCNA2 P20248 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ CDK5 Q00535 1/20 0.31
▸ CDK5R1 Q15078 1/20 0.31
▸ MET P08581 1/20 0.30
▸ LRRK2 Q5S007 1/20 0.30
▸ NOS3 P29474 1/20 0.30
▸ NOS1 P29475 1/20 0.30
▸ NOS2 P35228 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
SCHEMBL2600512 0.97 ROCK2 (0.43) ROCK2ROCK1CDC42BPBCDC42BPADRD4
SCHEMBL2600505 0.78 ROCK2 (0.36) ROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL2600516 0.76 ROCK2 (0.36) ROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL2600509 0.72 ROCK2 (0.35) ROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL18190369 0.65 BCL2L1 (0.31) DRD4
SCHEMBL2600506 0.63 AXL (0.50) ROCK2ROCK1CDC42BPBCDC42BPAAXL
SCHEMBL2600511 0.63 ROCK2 (0.37) ROCK2ROCK1CDC42BPBCDC42BPAAXL
SCHEMBL2600520 0.63 AKT1 (0.38) ROCK2ROCK1CDC42BPBCDC42BPAAXL
SCHEMBL27380968 0.62 KDM4E (0.38) NOS3NOS1NOS2
SCHEMBL20758409 0.62 CHEK1 (0.46) ROCK2ROCK1CDC42BPBCDC42BPAAXL

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.

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