SCHEMBL29640451

SCHEMBL29640451

COc1ccc2c(c1)CN(c1nccc(-c3nccc(C#Cc4ccc(C#N)cc4)n3)n1)C2

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 9/20 0.44
ROCK1 Q13464 4/20 0.43
KDM4E B2RXH2 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 1/20 0.36
PTBP1 P26599 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
UBE2N P61088 1/20 0.36
HTR1A P08908 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
ACACB O00763 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGDS O60760 1/20 0.33

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
SCHEMBL29627935 0.91 ROCK2 (0.52) ROCK2ROCK1ACACB
SCHEMBL29627955 0.88 ROCK2 (0.42) ROCK2ROCK1KDM4EACACB
SCHEMBL29627925 0.88 ROCK2 (0.43) ROCK2ROCK1ACACB
SCHEMBL29640795 0.87 ROCK2 (0.42) ROCK2ROCK1KDM4EKMT2AHPGD
SCHEMBL29627983 0.86 SCN9A (0.45) ROCK2ROCK1ACACBHPGDS
SCHEMBL29627937 0.85 ROCK2 (0.54) ROCK2ROCK1
SCHEMBL29627697 0.84 ROCK2 (0.40) ROCK2ROCK1
SCHEMBL29627828 0.84 ROCK2 (0.58) ROCK2ROCK1
SCHEMBL29640972 0.83 ROCK2 (0.51) ROCK2ROCK1
SCHEMBL20769697 0.81 ROCK2 (0.55) ROCK2ROCK1KDM4EKMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114502163-A Ethynylheterocycles as RHO-related coiled coil kinase (ROCK) inhibitors 安吉昂生物医药公司 2022-05-13 CN claimed
US-20220281841-A1 ETHYNYLHETEROCYCLES AS RHO-ASSOCIATED COILED-COIL KINASE (ROCK) INHIBITORS ANGION BIOMEDICA CORP. 2022-09-08 US disclosed
CN-114502163-A Ethynylheterocycles as RHO-related coiled coil kinase (ROCK) inhibitors 安吉昂生物医药公司 2022-05-13 CN 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 (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-20220281841-A1 ETHYNYLHETEROCYCLES AS RHO-ASSOCIATED COILED-COIL KINASE (ROCK) INHIBITORS ROCK1, ROCK2, CIT ROCK2 2/4885ROCK1 1/4885KDM4E 2774/4885

“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.