SCHEMBL19902500

SCHEMBL19902500

CN(CC(C)(C)O)c1ccn2c(C(=O)N[C@H]3CC[C@H](c4n[nH]c(=O)c5ccccc54)CC3)cnc2c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 2/20 0.40
ROCK2 O75116 2/20 0.40
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CSF1R P07333 11/20 0.36
TGFBR1 P36897 1/20 0.34
USP30 Q70CQ3 3/20 0.34
HPGDS O60760 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
SCHEMBL17452918 0.91 ROCK2 (0.49) ROCK1ROCK2CCNA2CDK2CSF1R
SCHEMBL19902724 0.89 ROCK1 (0.42) ROCK1ROCK2CCNA2CDK2CSF1R
SCHEMBL19902636 0.88 CSF1R (0.42) ROCK1ROCK2CCNA2CDK2CSF1R
SCHEMBL19902721 0.86 ROCK1 (0.43) ROCK1ROCK2CCNA2CDK2CSF1R
SCHEMBL19902508 0.86 ROCK1 (0.45) ROCK1ROCK2CSF1R
SCHEMBL19902642 0.86 ROCK1 (0.42) ROCK1ROCK2CCNA2CDK2CSF1R
SCHEMBL19902368 0.86 ROCK1 (0.49) ROCK1ROCK2CCNA2CDK2CSF1R
SCHEMBL19902616 0.83 ROCK1 (0.43) ROCK1ROCK2CCNA2CDK2CSF1R
SCHEMBL19902525 0.83 ROCK1 (0.46) ROCK1ROCK2CCNA2CDK2CSF1R
SCHEMBL19902518 0.82 CSF1R (0.46) ROCK1ROCK2CCNA2CDK2CSF1R

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 ROCK1 1/4885ROCK2 3/4885CCNA2 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.