SCHEMBL19902485

SCHEMBL19902485

O=C(N[C@H]1CC[C@H](c2n[nH]c(=O)c3ccccc32)CC1)c1cnc2cc(-c3cnn(C4CCOCC4)c3)ccn12

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 5/20 0.47
USP30 Q70CQ3 4/20 0.43
FGFR3 P22607 2/20 0.40
KDR P35968 2/20 0.40
DYRK1A Q13627 3/20 0.39
ALK Q9UM73 1/20 0.39
GSK3B P49841 2/20 0.39
JAK2 O60674 1/20 0.38
TGFBR1 P36897 1/20 0.38
ROCK2 O75116 2/20 0.37
MAP3K5 Q99683 2/20 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
SCHEMBL17452963 0.92 ROCK2 (0.47) ROCK1USP30FGFR3KDRDYRK1A
SCHEMBL19902655 0.88 USP30 (0.56) ROCK1USP30DYRK1AGSK3BROCK2
SCHEMBL19902392 0.86 ROCK1 (0.43) ROCK1USP30FGFR3KDRDYRK1A
SCHEMBL19902637 0.85 USP30 (0.46) ROCK1USP30DYRK1AGSK3BTGFBR1
SCHEMBL19902522 0.85 USP30 (0.46) ROCK1USP30TGFBR1ROCK2
SCHEMBL19902532 0.82 DYRK1A (0.46) ROCK1USP30DYRK1AROCK2
SCHEMBL19902368 0.82 ROCK1 (0.49) ROCK1USP30TGFBR1ROCK2
SCHEMBL19902587 0.82 USP30 (0.57) ROCK1USP30ROCK2
SCHEMBL19902518 0.80 CSF1R (0.46) ROCK1USP30TGFBR1ROCK2
SCHEMBL19902373 0.79 ROCK1 (0.51) ROCK1USP30DYRK1AGSK3BROCK2

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 1/4885USP30 3527/4885FGFR3 606/4885

“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.