SCHEMBL19902637

SCHEMBL19902637

CCn1cc(-c2ccn3c(C(=O)N[C@H]4CC[C@H](c5n[nH]c(=O)c6ccccc65)CC4)cnc3c2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.46
GSK3B P49841 2/20 0.44
DYRK1A Q13627 2/20 0.44
CSF1R P07333 8/20 0.42
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
TGFBR1 P36897 2/20 0.41
PRKAB2 O43741 1/20 0.41
ABL1 P00519 1/20 0.41
LYN P07948 1/20 0.41
TGFBR2 P37173 1/20 0.41
PRKAG1 P54619 1/20 0.41
SIK1 P57059 1/20 0.41
PRKAA1 Q13131 1/20 0.41
SIK2 Q9H0K1 1/20 0.41
SIK3 Q9Y2K2 1/20 0.41
ROCK2 O75116 2/20 0.40
ROCK1 Q13464 2/20 0.40
HAT1 O14929 2/20 0.37
EP300 Q09472 2/20 0.37

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
SCHEMBL17452964 0.91 ROCK2 (0.51) USP30GSK3BDYRK1ACSF1RPRMT5
SCHEMBL19902655 0.91 USP30 (0.56) USP30GSK3BDYRK1ACSF1RROCK2
SCHEMBL19902522 0.88 USP30 (0.46) USP30CSF1RPRMT5WDR77TGFBR1
SCHEMBL19902392 0.88 ROCK1 (0.43) USP30DYRK1ACSF1RTGFBR1ROCK2
SCHEMBL19902368 0.85 ROCK1 (0.49) USP30CSF1RPRMT5WDR77TGFBR1
SCHEMBL19902485 0.85 ROCK1 (0.47) USP30GSK3BDYRK1ATGFBR1ROCK2
SCHEMBL19902532 0.84 DYRK1A (0.46) USP30DYRK1AROCK2ROCK1
SCHEMBL17452958 0.83 ROCK2 (0.53) USP30GSK3BDYRK1ACSF1RPRMT5
SCHEMBL19902648 0.82 ROCK1 (0.43) USP30CSF1RTGFBR1ROCK2ROCK1
SCHEMBL20229984 0.82 ROCK1 (0.42) USP30GSK3BDYRK1ACSF1RTGFBR1

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 3527/4885GSK3B 7/4885DYRK1A 874/4885

“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.