SCHEMBL19902606

SCHEMBL19902606

CCn1cc(-c2ccc(C(=O)N[C@H]3CC[C@H](c4n[nH]c(=O)c5ccccc54)CC3)cc2F)cn1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.44
DYRK1A Q13627 3/20 0.43
GSK3B P49841 2/20 0.43
ROCK2 O75116 1/20 0.42
PARP1 P09874 2/20 0.41
RIPK2 O43353 8/20 0.41
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
WNT1 P04628 1/20 0.39

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
SCHEMBL17452969 0.91 ROCK2 (0.53) USP30DYRK1AGSK3BROCK2PARP1
SCHEMBL19902593 0.91 USP30 (0.54) USP30DYRK1AGSK3BROCK2RIPK2
SCHEMBL19902428 0.88 USP30 (0.44) USP30DYRK1AGSK3BROCK2PARP1
SCHEMBL19902531 0.88 USP30 (0.43) USP30DYRK1AGSK3BROCK2PARP1
SCHEMBL19902726 0.87 USP30 (0.43) USP30DYRK1AGSK3BROCK2PARP1
SCHEMBL19902373 0.84 ROCK1 (0.51) USP30DYRK1AGSK3BROCK2RIPK2
SCHEMBL17452932 0.82 ROCK2 (0.55) USP30DYRK1AGSK3BROCK2RIPK2
SCHEMBL19902646 0.80 USP30 (0.55) USP30ROCK2RIPK2CCNCCDK8
SCHEMBL17452951 0.80 ROCK2 (0.55) USP30DYRK1AGSK3BROCK2PARP1
SCHEMBL17452973 0.80 ROCK2 (0.51) USP30DYRK1AGSK3BROCK2

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 3527/4885DYRK1A 874/4885GSK3B 7/4885

“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.