SCHEMBL19902532

SCHEMBL19902532

O=C(N[C@H]1CC[C@H](c2n[nH]c(=O)c3ccccc32)CC1)c1cnc2cc(-c3cccnc3)ccn12

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 13/20 0.46
WNT1 P04628 11/20 0.46
USP30 Q70CQ3 3/20 0.43
KCNH2 Q12809 1/20 0.43
HDAC8 Q9BY41 1/20 0.42
ROCK1 Q13464 2/20 0.41
ROCK2 O75116 1/20 0.40

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
SCHEMBL19902392 0.93 ROCK1 (0.43) DYRK1AUSP30ROCK1ROCK2
SCHEMBL17452987 0.90 ROCK2 (0.50) DYRK1AWNT1USP30KCNH2HDAC8
SCHEMBL19902368 0.87 ROCK1 (0.49) USP30ROCK1ROCK2
SCHEMBL19902655 0.87 USP30 (0.56) DYRK1AUSP30ROCK1ROCK2
SCHEMBL19902518 0.85 CSF1R (0.46) USP30ROCK1ROCK2
SCHEMBL19902522 0.84 USP30 (0.46) USP30ROCK1ROCK2
SCHEMBL19902637 0.84 USP30 (0.46) DYRK1AUSP30ROCK1ROCK2
SCHEMBL19902345 0.84 ROCK1 (0.53) ROCK1ROCK2
SCHEMBL20229984 0.84 ROCK1 (0.42) DYRK1AUSP30ROCK1ROCK2
SCHEMBL19902525 0.84 ROCK1 (0.46) USP30ROCK1ROCK2

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 DYRK1A 874/4885WNT1 974/4885USP30 3527/4885

“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.