SCHEMBL19902591

SCHEMBL19902591

COc1ccn2c(C(=O)N[C@H]3CC[C@H](c4n[nH]c(=O)c5ccccc54)CC3)cnc2c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 14/20 0.46
ROCK1 Q13464 2/20 0.44
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
RIPK2 O43353 1/20 0.43
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
ROCK2 O75116 2/20 0.41

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
SCHEMBL19902410 0.93 ROCK1 (0.45) CSF1RROCK1CCNA2CDK2ROCK2
SCHEMBL19902598 0.91 CSF1R (0.42) CSF1RROCK1CCNA2CDK2ROCK2
SCHEMBL19902368 0.91 ROCK1 (0.49) CSF1RROCK1CCNA2CDK2PRMT5
SCHEMBL17452971 0.90 ROCK2 (0.54) CSF1RROCK1CCNA2CDK2RIPK2
SCHEMBL19902508 0.89 ROCK1 (0.45) CSF1RROCK1ROCK2
SCHEMBL19902434 0.89 CSF1R (0.42) CSF1RROCK1CCNA2CDK2ROCK2
SCHEMBL19902477 0.89 CSF1R (0.52) CSF1RROCK1ROCK2
SCHEMBL19902429 0.88 CSF1R (0.40) CSF1RROCK1CCNA2CDK2ROCK2
SCHEMBL19902599 0.88 CSF1R (0.40) CSF1RROCK1CCNA2CDK2ROCK2
SCHEMBL19902652 0.88 CSF1R (0.43) CSF1RROCK1ROCK2

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 CSF1R 2895/4885ROCK1 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.