SCHEMBL19902373

SCHEMBL19902373

O=C(N[C@H]1CC[C@H](c2n[nH]c(=O)c3ccccc32)CC1)c1ccc(-c2cnn(C3CCOCC3)c2)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 4/20 0.51
USP30 Q70CQ3 1/20 0.41
RIPK2 O43353 11/20 0.40
DYRK1A Q13627 4/20 0.38
GSK3B P49841 3/20 0.38
ROCK2 O75116 1/20 0.38

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
SCHEMBL19902531 0.95 USP30 (0.43) ROCK1USP30RIPK2DYRK1AGSK3B
SCHEMBL17452982 0.92 ROCK2 (0.48) ROCK1USP30RIPK2DYRK1AGSK3B
SCHEMBL19902593 0.87 USP30 (0.54) ROCK1USP30RIPK2DYRK1AGSK3B
SCHEMBL17452973 0.86 ROCK2 (0.51) ROCK1USP30DYRK1AGSK3BROCK2
SCHEMBL19902726 0.85 USP30 (0.43) ROCK1USP30RIPK2DYRK1AGSK3B
SCHEMBL19902606 0.84 USP30 (0.44) USP30RIPK2DYRK1AGSK3BROCK2
SCHEMBL19902428 0.84 USP30 (0.44) USP30RIPK2DYRK1AGSK3BROCK2
SCHEMBL19902485 0.79 ROCK1 (0.47) ROCK1USP30DYRK1AGSK3BROCK2
SCHEMBL17452932 0.77 ROCK2 (0.55) ROCK1USP30RIPK2DYRK1AGSK3B
SCHEMBL19902646 0.77 USP30 (0.55) ROCK1USP30RIPK2ROCK2

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 ROCK1 1/4885USP30 3527/4885RIPK2 983/4885

“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.