SCHEMBL19902646

SCHEMBL19902646

COc1cc(C(=O)N[C@H]2CC[C@H](c3n[nH]c(=O)c4ccccc43)CC2)ccc1-c1cnn(C)c1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 4/20 0.55
CCNC P24863 3/20 0.47
CDK8 P49336 3/20 0.47
ROCK2 O75116 7/20 0.46
ROCK1 Q13464 3/20 0.46
RIPK2 O43353 2/20 0.45
AURKA O14965 2/20 0.44
AURKB Q96GD4 2/20 0.44
TTK P33981 1/20 0.42

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
SCHEMBL17452928 0.90 ROCK2 (0.54) USP30CCNCCDK8ROCK2ROCK1
SCHEMBL19902593 0.89 USP30 (0.54) USP30CCNCCDK8ROCK2ROCK1
SCHEMBL19902380 0.87 ROCK2 (0.62) ROCK2ROCK1
SCHEMBL19902605 0.86 CCNC (0.55) CCNCCDK8ROCK2ROCK1RIPK2
SCHEMBL19902506 0.83 USP30 (0.52) USP30CCNCCDK8ROCK2ROCK1
SCHEMBL19902498 0.83 ROCK2 (0.43) ROCK2ROCK1
SCHEMBL19902428 0.80 USP30 (0.44) USP30CCNCCDK8ROCK2RIPK2
SCHEMBL19902606 0.80 USP30 (0.44) USP30CCNCCDK8ROCK2RIPK2
SCHEMBL19902358 0.80 PSEN1 (0.51) ROCK2RIPK2
SCHEMBL19902412 0.80 ROCK2 (0.43) USP30CCNCCDK8ROCK2ROCK1

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 USP30 3527/4885CCNC 1995/4885CDK8 1196/4885

“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.