SCHEMBL30189449

SCHEMBL30189449

Nc1cc(/C=C/c2ccnc(-c3ccnc(N4Cc5ccc(Br)cc5C4)n3)n2)ccn1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.31
SCN9A Q15858 1/20 0.30
HRH4 Q9H3N8 1/20 0.30

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
SCHEMBL22229617 1.00 GRM4 (0.31) GRM4SCN9AHRH4
SCHEMBL28897461 0.91 GRM4 (0.34) GRM4SCN9AHRH4
SCHEMBL30189422 0.89 ROCK2 (0.35) SCN9A
SCHEMBL22229640 0.89 ROCK2 (0.35) SCN9A
SCHEMBL22229629 0.89 ROCK2 (0.38) GRM4HRH4
SCHEMBL22229605 0.89 GRM4 (0.39) GRM4HRH4
SCHEMBL30189624 0.89 ROCK2 (0.38) GRM4HRH4
SCHEMBL30189725 0.89 GRM4 (0.39) GRM4HRH4
SCHEMBL22229650 0.86 ROCK2 (0.43)
SCHEMBL22229580 0.86 ROCK2 (0.40) GRM4HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11542256-B2 Vinylheterocycles as Rho-associated coiled-coil kinase (ROCK) inhibitors ANGION BIOMEDICA CORP. (US) 2023-01-03 US claimed

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-11542256-B2 Vinylheterocycles as Rho-associated coiled-coil kinase (ROCK) inhibitors ROCK1, ROCK2, RHOT2 GRM4 4738/4885SCN9A 3389/4885HRH4 2502/4885

“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.