SCHEMBL29908218

SCHEMBL29908218

COc1cc2c(cn1)CN(c1nccc(C#N)n1)C2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.39
ROCK1 Q13464 2/20 0.38
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
PTBP1 P26599 1/20 0.37
PANK3 Q9H999 1/20 0.37
CTSS P25774 3/20 0.36
FAAH O00519 1/20 0.35
RIPK1 Q13546 1/20 0.35
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
UBE2N P61088 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR1A P08908 2/20 0.34
PDE10A Q9Y233 1/20 0.34
HPGDS O60760 1/20 0.33
CTSK P43235 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
SCHEMBL14816898 0.85 ROCK2 (0.42) ROCK2ROCK1KDM4EHPGDPTBP1
SCHEMBL29640845 0.82 ROCK2 (0.55) ROCK2ROCK1KDM4EHPGDPTBP1
SCHEMBL20769697 0.82 ROCK2 (0.55) ROCK2ROCK1KDM4EHPGDPTBP1
SCHEMBL29627881 0.79 MAPT (0.41) KDM4EFAAHALDH1A1GAAKMT2A
SCHEMBL29627867 0.76 CTSS (0.44) ROCK2KDM4EHPGDPANK3CTSS
Hydrochloric Acid SCHEMBL29908231 0.75 ROCK2 (0.35) ROCK2ROCK1FAAHPDE10A
SCHEMBL29627879 0.74 ROCK2 (0.36) ROCK2ROCK1PDE10A
SCHEMBL29628003 0.74 HTR1A (0.48) ROCK2ROCK1PANK3CTSSRIPK1
SCHEMBL29627945 0.73 ROCK2 (0.39) ROCK2ROCK1FAAH
SCHEMBL31421020 0.68 PANK3 (0.49) ROCK2ROCK1PANK3CTSSRIPK1

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-20220281841-A1 ETHYNYLHETEROCYCLES AS RHO-ASSOCIATED COILED-COIL KINASE (ROCK) INHIBITORS ANGION BIOMEDICA CORP. 2022-09-08 US 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.