SCHEMBL17452964

SCHEMBL17452964

CCn1cc(-c2ccn3c(C(=O)N[C@H]4CC5(C4)C[C@H](c4n[nH]c(=O)c6ccccc64)C5)cnc3c2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.51
USP30 Q70CQ3 3/20 0.43
CSF1R P07333 4/20 0.41
GSK3B P49841 2/20 0.41
DYRK1A Q13627 2/20 0.41
PRMT5 O14744 2/20 0.40
WDR77 Q9BQA1 2/20 0.40
ROCK1 Q13464 3/20 0.39
HAT1 O14929 2/20 0.38
EP300 Q09472 2/20 0.38
PRKAB2 O43741 1/20 0.35
ABL1 P00519 1/20 0.35
LYN P07948 1/20 0.35
TGFBR1 P36897 1/20 0.35
TGFBR2 P37173 1/20 0.35
PRKAG1 P54619 1/20 0.35
SIK1 P57059 1/20 0.35
PRKAA1 Q13131 1/20 0.35
SIK2 Q9H0K1 1/20 0.35
SIK3 Q9Y2K2 1/20 0.35

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
SCHEMBL17452958 0.92 ROCK2 (0.53) ROCK2USP30CSF1RGSK3BDYRK1A
SCHEMBL19902637 0.91 USP30 (0.46) ROCK2USP30CSF1RGSK3BDYRK1A
SCHEMBL17452960 0.91 ROCK2 (0.54) ROCK2USP30CSF1RGSK3BDYRK1A
SCHEMBL17452985 0.89 ROCK2 (0.51) ROCK2USP30CSF1RPRMT5WDR77
SCHEMBL17452880 0.89 ROCK2 (0.55) ROCK2USP30CSF1RDYRK1AROCK1
SCHEMBL17452910 0.86 ROCK2 (0.59) ROCK2USP30CSF1RPRMT5WDR77
SCHEMBL17452963 0.86 ROCK2 (0.47) ROCK2USP30GSK3BDYRK1AROCK1
SCHEMBL17452987 0.85 ROCK2 (0.50) ROCK2USP30DYRK1AROCK1PDGFRA
SCHEMBL17452937 0.84 ROCK2 (0.53) ROCK2USP30CSF1RROCK1KIT
SCHEMBL17452977 0.83 ROCK2 (0.55) ROCK2USP30CSF1RROCK1KIT

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 5 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
US-20160016914-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY 2016-01-21 US disclosed
US-20160016914-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY 2016-01-21 US disclosed
WO-2016010950-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-21 WO 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 (2 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 3/4885USP30 3527/4885CSF1R 2895/4885
US-20160016914-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK ROCK1, MYLK, ROCK2 ROCK2 3/4885USP30 3527/4885CSF1R 2895/4885

“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.