SCHEMBL21947017

SCHEMBL21947017

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.51
CSNK1D P48730 1/20 0.45
CSNK1G2 P78368 1/20 0.45
METTL3 Q86U44 1/20 0.45
USP30 Q70CQ3 2/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A3 P47895 1/20 0.40
ROCK2 O75116 3/20 0.39
BACE1 P56817 2/20 0.39
BACE2 Q9Y5Z0 2/20 0.39
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
POLB P06746 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
LRRK2 Q5S007 1/20 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
SCHEMBL1733873 0.86 PTGS1 (0.53) APPCSNK1DCSNK1G2METTL3USP30
Bromide SCHEMBL28933613 0.84 PTGS1 (0.51) APPCSNK1DCSNK1G2METTL3USP30
SCHEMBL20646997 0.84 CSNK1D (0.48) APPCSNK1DCSNK1G2METTL3USP30
SCHEMBL20646999 0.84 APP (0.48) APPCSNK1DCSNK1G2METTL3USP30
SCHEMBL24247758 0.84 APP (0.48) APPCSNK1DCSNK1G2METTL3USP30
SCHEMBL1638034 0.81 KDM4E (0.61) APPMETTL3KDM4EPOLB
SCHEMBL2087277 0.80 METTL3 (0.47) APPCSNK1DCSNK1G2METTL3USP30
SCHEMBL16376280 0.78 RAB9A (0.50) APPMETTL3KDM4EHRH4HRH3
SCHEMBL15223780 0.77 HRH4 (0.41) KDM4EHRH4HRH3PTGS1PTGS2
SCHEMBL3367812 0.76 NPC1 (0.64) METTL3USP30KDM4EROCK2BACE1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3954681-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK Bristol-Myers Squibb Company (US) 2022-02-16 EP disclosed
EP-3402790-B1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2021-10-06 EP disclosed
US-10829501-B2 Spiroheptane salicylamides and related compounds as inhibitors of ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2020-11-10 US disclosed
US-20200131200-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2020-04-30 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-10829501-B2 Spiroheptane salicylamides and related compounds as inhibitors of ROCK ROCK1, MYLK, RHOA APP 2184/4885CSNK1D 2087/4885CSNK1G2 2446/4885
US-20200131200-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK ROCK1, MYLK, RHOA APP 2184/4885CSNK1D 2087/4885CSNK1G2 2446/4885

“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.