SCHEMBL10036352

SCHEMBL10036352

Nc1cc(Nc2ccc(Oc3cccc4cnccc34)c(F)c2)nc(N)n1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 18/20 0.79
CYP3A4 P08684 4/20 0.53
ROCK1 Q13464 1/20 0.46
BRAF P15056 1/20 0.43

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
SCHEMBL5256160 0.90 ROCK2 (0.76) ROCK2CYP3A4ROCK1
SCHEMBL5257089 0.90 ROCK2 (0.76) ROCK2CYP3A4ROCK1
SCHEMBL10036320 0.88 ROCK2 (1.00) ROCK2CYP3A4ROCK1
SCHEMBL10036322 0.88 ROCK2 (0.91) ROCK2CYP3A4ROCK1
SCHEMBL5258702 0.87 ROCK2 (0.86) ROCK2CYP3A4ROCK1
SCHEMBL13116102 0.82 ROCK2 (0.78) ROCK2CYP3A4ROCK1
SCHEMBL13115984 0.80 ROCK2 (0.75) ROCK2CYP3A4ROCK1BRAF
SCHEMBL5257975 0.79 ROCK2 (0.59) ROCK2CYP3A4BRAF
SCHEMBL13115524 0.77 ROCK1 (0.65) ROCK2CYP3A4ROCK1
SCHEMBL10067529 0.76 ROCK2 (0.57) ROCK2

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-20120053179-A1 Rho-Kinase Inhibitors NAGARATHNAM DHANAPALAN (US) 2012-03-01 US disclosed
US-20120053179-A1 Rho-Kinase Inhibitors NAGARATHNAM DHANAPALAN (US) 2012-03-01 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-20120053179-A1 Rho-Kinase Inhibitors CIT, ROCK1, ROCK2 ROCK2 3/4885CYP3A4 2878/4885ROCK1 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.