SCHEMBL30189624

SCHEMBL30189624

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

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
DPP4 P27487 2/20 0.32
GRM4 Q14833 1/20 0.31
HRH4 Q9H3N8 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL22229629 1.00 ROCK2 (0.38) ROCK2KDM4ENPC1RAB9ADPP4
SCHEMBL28443783 0.91 KDM4E (0.42) ROCK2KDM4ENPC1RAB9AGRM4
SCHEMBL22229646 0.89 ROCK2 (0.39) ROCK2KDM4ENPC1RAB9ADPP4
SCHEMBL30189598 0.89 ROCK2 (0.39) ROCK2KDM4ENPC1RAB9ADPP4
SCHEMBL22229605 0.89 GRM4 (0.39) ROCK2GRM4HRH4
SCHEMBL22229617 0.89 GRM4 (0.31) GRM4HRH4
SCHEMBL30189725 0.89 GRM4 (0.39) ROCK2GRM4HRH4
SCHEMBL30189449 0.89 GRM4 (0.31) GRM4HRH4
SCHEMBL22229650 0.86 ROCK2 (0.43) ROCK2
SCHEMBL22229580 0.86 ROCK2 (0.40) ROCK2GRM4HRH4

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 ROCK2 2/4885KDM4E 2076/4885NPC1 2508/4885

“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.