SCHEMBL19902587

SCHEMBL19902587

O=C(N[C@H]1CC[C@H](c2n[nH]c(=O)c3ccccc32)CC1)c1cnc2cc(N3CCOCC3)ccn12

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.57
SIK1 P57059 6/20 0.47
SIK2 Q9H0K1 6/20 0.47
SIK3 Q9Y2K2 6/20 0.47
CSF1R P07333 3/20 0.43
ROCK1 Q13464 3/20 0.41
KIT P10721 1/20 0.41
ROCK2 O75116 2/20 0.40
GRIA1 P42261 1/20 0.38
PARP1 P09874 1/20 0.38
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
FLT3 P36888 1/20 0.37
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36

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
SCHEMBL19902565 0.93 USP30 (0.47) USP30SIK1SIK2SIK3CSF1R
SCHEMBL19902619 0.91 SIK1 (0.47) USP30SIK1SIK2SIK3CSF1R
SCHEMBL17452889 0.90 USP30 (0.53) USP30SIK1SIK2SIK3CSF1R
SCHEMBL19902560 0.89 USP30 (0.44) USP30SIK1SIK2SIK3CSF1R
SCHEMBL19902563 0.89 USP30 (0.45) USP30SIK1SIK2SIK3CSF1R
SCHEMBL19902584 0.89 USP30 (0.45) USP30SIK1SIK2SIK3CSF1R
SCHEMBL19902588 0.88 CSF1R (0.45) USP30SIK1SIK2SIK3CSF1R
SCHEMBL19902394 0.86 SIK1 (0.42) USP30SIK1SIK2SIK3CSF1R
SCHEMBL19902368 0.86 ROCK1 (0.49) USP30CSF1RROCK1KITROCK2
SCHEMBL19902610 0.85 CSF1R (0.55) SIK1SIK2SIK3CSF1R

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 3527/4885SIK1 1531/4885SIK2 2048/4885

“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.