SCHEMBL20769711

SCHEMBL20769711

Fc1ccc2c(c1)CN(c1nccc(-c3nccc(Cl)n3)n1)C2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.44
ROCK1 Q13464 2/20 0.44
ADORA2A P29274 1/20 0.41
NAMPT P43490 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
FAAH O00519 2/20 0.32
SCN9A Q15858 1/20 0.32
MBOAT4 Q96T53 1/20 0.32
GRM5 P41594 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3R1 P27986 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
CTSS P25774 1/20 0.31

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
SCHEMBL29627865 0.85 ROCK2 (0.44) ROCK2ROCK1ADORA2ANAMPTHCRTR1
SCHEMBL29627968 0.85 ROCK2 (0.44) ROCK2ROCK1ADORA2ANAMPTHCRTR1
SCHEMBL20769693 0.85 ADORA2A (0.46) ROCK2ROCK1ADORA2ANAMPTHCRTR1
SCHEMBL29627938 0.82 ROCK2 (0.51) ROCK2ROCK1HCRTR1HCRTR2SCN9A
SCHEMBL29627931 0.79 TRPV1 (0.39) ROCK2ROCK1ADORA2ANAMPTFAAH
SCHEMBL22229600 0.78 ROCK2 (0.39) ROCK2ROCK1ADORA2ANAMPTHCRTR1
SCHEMBL30189626 0.78 ROCK2 (0.39) ROCK2ROCK1ADORA2ANAMPTHCRTR1
SCHEMBL29627879 0.77 ROCK2 (0.36) ROCK2ROCK1HCRTR1HCRTR2
SCHEMBL22229605 0.76 GRM4 (0.39) ROCK2ROCK1ADORA2ANAMPTHCRTR1
SCHEMBL30189725 0.76 GRM4 (0.39) ROCK2ROCK1ADORA2ANAMPTHCRTR1

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 8 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
EP-4003340-A2 ETHYNYLHETEROCYCLES AS RHO-ASSOCIATED COILED-COIL KINASE (ROCK) INHIBITORS Angion Biomedica Corp. (US) 2022-06-01 EP 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 ROCK2 2/4885ROCK1 1/4885ADORA2A 2557/4885
US-11542256-B2 Vinylheterocycles as Rho-associated coiled-coil kinase (ROCK) inhibitors ROCK1, ROCK2, RHOT2 ROCK2 2/4885ROCK1 1/4885ADORA2A 2557/4885

“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.