SCHEMBL19902622

SCHEMBL19902622

Cn1ccc2ccc(C(=O)N[C@H]3CC[C@H](c4n[nH]c(=O)c5ccccc54)CC3)cc21

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.54
MAPK11 Q15759 3/20 0.54
CHRNA7 P36544 2/20 0.46
ROCK2 O75116 1/20 0.42
PLK1 P53350 2/20 0.41
KDM5A P29375 1/20 0.41
KHK P50053 3/20 0.40
HPGD P15428 1/20 0.40
CHEK1 O14757 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CFTR P13569 1/20 0.38

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
SCHEMBL19902707 0.93 KDM5A (0.49) MAPK14MAPK11CHRNA7ROCK2PLK1
SCHEMBL17452956 0.89 ROCK2 (0.55) MAPK14MAPK11CHRNA7ROCK2PLK1
SCHEMBL19902479 0.86 KHK (0.48) MAPK14ROCK2PLK1KHKHPGD
SCHEMBL19902501 0.83 PTGER3 (0.47) MAPK14MAPK11ROCK2KHKHPGD
SCHEMBL19902708 0.83 HPGD (0.48) CHRNA7ROCK2HPGDKDM4EALDH1A1
SCHEMBL17452952 0.81 ROCK2 (0.55) MAPK14MAPK11CHRNA7ROCK2KDM5A
SCHEMBL19902369 0.80 ROCK2 (0.46) MAPK14ROCK2CHEK1CFTR
SCHEMBL19902713 0.78 TNKS (0.50) MAPK14ROCK2ALDH1A1
SCHEMBL19902585 0.78 CHEK1 (0.47) MAPK14ROCK2HPGDCHEK1KDM4E
SCHEMBL19902383 0.78 CYP1A2 (0.48) MAPK14ROCK2KDM5AALDH1A1

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 MAPK14 189/4885MAPK11 132/4885CHRNA7 1851/4885

“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.