SCHEMBL20769693

SCHEMBL20769693

Oc1ccnc(-c2ccnc(N3Cc4ccc(F)cc4C3)n2)n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.46
ROCK2 O75116 3/20 0.44
ROCK1 Q13464 2/20 0.44
NAMPT P43490 3/20 0.38
HCRTR1 O43613 2/20 0.38
HCRTR2 O43614 2/20 0.38
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
FAAH O00519 2/20 0.34
SCN9A Q15858 1/20 0.34
PIK3CA P42336 1/20 0.34
HSP90B1 P14625 2/20 0.33
TRAP1 Q12931 2/20 0.33
TRPV3 Q8NET8 1/20 0.33
DPP4 P27487 1/20 0.32

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
SCHEMBL29627968 0.85 ROCK2 (0.44) ADORA2AROCK2ROCK1NAMPTHCRTR1
SCHEMBL20769711 0.85 ROCK2 (0.44) ADORA2AROCK2ROCK1NAMPTHCRTR1
SCHEMBL22229600 0.78 ROCK2 (0.39) ADORA2AROCK2ROCK1NAMPTHCRTR1
SCHEMBL30189626 0.78 ROCK2 (0.39) ADORA2AROCK2ROCK1NAMPTHCRTR1
SCHEMBL22229605 0.76 GRM4 (0.39) ADORA2AROCK2ROCK1NAMPTHCRTR1
SCHEMBL30189725 0.76 GRM4 (0.39) ADORA2AROCK2ROCK1NAMPTHCRTR1
SCHEMBL29627865 0.76 ROCK2 (0.44) ADORA2AROCK2ROCK1NAMPTHCRTR1
SCHEMBL20769692 0.75 MEN1 (0.37) HCRTR1HCRTR2MEN1NPC1RAB9A
SCHEMBL29627931 0.74 TRPV1 (0.39) ADORA2AROCK2ROCK1NAMPTFAAH
SCHEMBL22242874 0.72 ROCK1 (0.46) ADORA2AROCK2ROCK1NAMPTSCN9A

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 7 patents. 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 disclosed
US-11542256-B2 Vinylheterocycles as Rho-associated coiled-coil kinase (ROCK) inhibitors ANGION BIOMEDICA CORP. (US) 2023-01-03 US disclosed
US-20200231576-A1 VINYLHETEROCYCLES AS RHO-ASSOCIATED COILED-COIL KINASE (ROCK) INHIBITORS ANGION BIOMEDICA CORP. 2020-07-23 US disclosed
US-20200231576-A1 VINYLHETEROCYCLES AS RHO-ASSOCIATED COILED-COIL KINASE (ROCK) INHIBITORS ANGION BIOMEDICA CORP. 2020-07-23 US disclosed
CN-111406051-A Vinylheterocycles as RHO-associated coiled coil kinase (ROCK) inhibitors 安吉昂生物医药公司 2020-07-10 CN disclosed
EP-3676262-A1 VINYLHETEROCYCLES AS RHO-ASSOCIATED COILED-COIL KINASE (ROCK) INHIBITORS Angion Biomedica Corp. (US) 2020-07-08 EP disclosed
WO-2019046795-A1 VINYLHETEROCYCLES AS RHO-ASSOCIATED COILED-COIL KINASE (ROCK) INHIBITORS ANGION BIOMEDICA CORP. (US) 2019-03-07 WO 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-20200231576-A1 VINYLHETEROCYCLES AS RHO-ASSOCIATED COILED-COIL KINASE (ROCK) INHIBITORS ROCK1, ROCK2, RHOT2 ADORA2A 2557/4885ROCK2 2/4885ROCK1 1/4885
US-11542256-B2 Vinylheterocycles as Rho-associated coiled-coil kinase (ROCK) inhibitors ROCK1, ROCK2, RHOT2 ADORA2A 2557/4885ROCK2 2/4885ROCK1 1/4885

“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.