SCHEMBL19902702

SCHEMBL19902702

N#Cc1cccn2c(C(=O)N[C@H]3CC[C@H](c4n[nH]c(=O)c5ccccc54)CC3)cnc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.40
ROCK1 Q13464 4/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
TYK2 P29597 4/20 0.37
NPC1 O15118 3/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
USP30 Q70CQ3 1/20 0.33
PARP1 P09874 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
PARP3 Q9Y6F1 1/20 0.33
AR P10275 2/20 0.33
PDE4B Q07343 1/20 0.33
TTK P33981 1/20 0.33

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
SCHEMBL17452878 0.89 ROCK2 (0.53) ROCK2ROCK1CCNA2CDK2TYK2
SCHEMBL19902384 0.87 ROCK2 (0.41) ROCK2ROCK1CCNA2CDK2TYK2
SCHEMBL19902489 0.85 ROCK2 (0.40) ROCK2ROCK1CCNA2CDK2TYK2
SCHEMBL19902345 0.83 ROCK1 (0.53) ROCK2ROCK1CCNA2CDK2NPC1
SCHEMBL19902478 0.82 PRMT5 (0.43) ROCK2ROCK1CCNA2CDK2TYK2
SCHEMBL19902404 0.82 MAPK8 (0.42) ROCK2ROCK1TYK2MEN1KMT2A
SCHEMBL19902516 0.81 ROCK2 (0.43) ROCK2ROCK1CCNA2CDK2TYK2
SCHEMBL19902368 0.79 ROCK1 (0.49) ROCK2ROCK1CCNA2CDK2NPC1
SCHEMBL19902604 0.79 ROCK2 (0.40) ROCK2ROCK1TYK2NPC1RAB9A
SCHEMBL19902518 0.78 CSF1R (0.46) ROCK2ROCK1CCNA2CDK2USP30

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 ROCK2 3/4885ROCK1 1/4885CCNA2 3411/4885

“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.