SCHEMBL4425040

SCHEMBL4425040

Nc1ccc2[nH]nc(NC3CCCN(Cc4ccccc4)C3)c2c1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 8/20 0.71
▸ MCHR1 Q99705 7/20 0.64
▸ ROCK1 Q13464 5/20 0.56
▸ CCR2 P41597 4/20 0.56
▸ ITK Q08881 1/20 0.48

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
SCHEMBL659975 0.83 ROCK2 (1.00) ROCK2ROCK1CCR2ITK
SCHEMBL12846292 0.79 ROCK2 (0.56) ROCK2MCHR1ROCK1CCR2
SCHEMBL659088 0.78 ROCK2 (0.80) ROCK2ROCK1CCR2ITK
SCHEMBL19500904 0.76 MCHR1 (0.77) ROCK2MCHR1ROCK1CCR2
SCHEMBL12846293 0.75 MCHR1 (0.56) ROCK2MCHR1ROCK1CCR2
SCHEMBL5870954 0.74 ROCK2 (0.65) ROCK2ROCK1CCR2
SCHEMBL32679933 0.72 KAT2B (0.54) ROCK2ROCK1CCR2
SCHEMBL659846 0.71 ROCK2 (1.00) ROCK2ROCK1CCR2
SCHEMBL2804629 0.71 ROCK2 (1.00) ROCK2ROCK1CCR2
SCHEMBL659847 0.71 ROCK2 (1.00) ROCK2ROCK1CCR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325959-A1 METHOD FOR TREATING OPHTHALMIC DISEASES USING RHO KINASE INHIBITOR COMPOUNDS INSPIRE PHARMACEUTICALS, INC. 2009-12-31 — — 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-20090325959-A1 METHOD FOR TREATING OPHTHALMIC DISEASES USING RHO KINASE INHIBITOR COMPOUNDS ROCK2, ROCK1, CIT ROCK2 1/4885MCHR1 1483/4885ROCK1 2/4885

“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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