SCHEMBL19902406

SCHEMBL19902406

Cc1cc(C(=O)N[C@H]2CC[C@H](c3n[nH]c(=O)c4ccccc43)CC2)ccc1-c1cn[nH]c1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 19/20 0.61
ROCK1 Q13464 17/20 0.61
MAPK14 Q16539 1/20 0.44

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
SCHEMBL19902380 0.91 ROCK2 (0.62) ROCK2ROCK1
SCHEMBL17452927 0.89 ROCK2 (0.55) ROCK2ROCK1
SCHEMBL19902634 0.88 ROCK2 (0.49) ROCK2ROCK1
SCHEMBL19902640 0.87 ROCK2 (0.48) ROCK2ROCK1
SCHEMBL20229915 0.86 ROCK2 (0.51) ROCK2ROCK1MAPK14
SCHEMBL17452972 0.80 ROCK2 (0.53) ROCK2ROCK1
SCHEMBL19902719 0.79 ROCK2 (0.52) ROCK2ROCK1
SCHEMBL19902407 0.78 ROCK2 (0.51) ROCK2ROCK1
SCHEMBL19902646 0.78 USP30 (0.55) ROCK2ROCK1
SCHEMBL19902369 0.78 ROCK2 (0.46) ROCK2ROCK1MAPK14

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-20180155296-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2018-06-07 US disclosed
US-9902702-B2 Spirocycloheptanes as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-27 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-20180155296-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK ROCK1, MYLK, ROCK2 ROCK2 3/4885ROCK1 1/4885MAPK14 189/4885

“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.