SCHEMBL20646997

SCHEMBL20646997

CC(C)(C)C(=O)c1cn2cc(C#N)ccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.48
CSNK1G2 P78368 1/20 0.48
APP P05067 1/20 0.48
METTL3 Q86U44 1/20 0.43
USP30 Q70CQ3 1/20 0.41
KDM4E B2RXH2 3/20 0.39
ALDH1A3 P47895 1/20 0.38
ROCK2 O75116 4/20 0.38
BACE1 P56817 3/20 0.37
BACE2 Q9Y5Z0 2/20 0.37
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
LRRK2 Q5S007 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
POLB P06746 1/20 0.35
CTSD P07339 1/20 0.35
EGLN1 Q9GZT9 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL21947017 0.84 APP (0.51) CSNK1DCSNK1G2APPMETTL3USP30
SCHEMBL1733873 0.82 PTGS1 (0.53) CSNK1DCSNK1G2APPMETTL3USP30
Bromide SCHEMBL28933613 0.81 PTGS1 (0.51) CSNK1DCSNK1G2APPMETTL3USP30
SCHEMBL24198780 0.80 MAP3K5 (0.48) APPMETTL3KDM4EHRH4HRH3
SCHEMBL20646999 0.80 APP (0.48) CSNK1DCSNK1G2APPMETTL3USP30
SCHEMBL24247758 0.80 APP (0.48) CSNK1DCSNK1G2APPMETTL3USP30
SCHEMBL1638034 0.78 KDM4E (0.61) APPMETTL3KDM4EPOLBNPC1
SCHEMBL15222278 0.77 MAP3K5 (0.39) KDM4EHRH4HRH3PTGS1PTGS2
SCHEMBL2087277 0.76 METTL3 (0.47) CSNK1DCSNK1G2APPMETTL3USP30
SCHEMBL15222282 0.74 ALDH1A1 (0.46) KDM4EHRH4HRH3PTGS1PTGS2

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-10611776-B2 Spiroheptane salicylamides and related compounds as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2020-04-07 US disclosed
US-20190016735-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2019-01-17 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 (2 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-20190016735-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK ROCK1, MYLK, RHOA CSNK1D 2177/4885CSNK1G2 2511/4885APP 2292/4885
US-10611776-B2 Spiroheptane salicylamides and related compounds as inhibitors of rock ROCK1, MYLK, RHOA CSNK1D 2177/4885CSNK1G2 2511/4885APP 2292/4885

“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.