SCHEMBL30189498

SCHEMBL30189498

COc1ccc2c(c1)CN(c1nccc(-c3nccc(/C=C/c4ccnc5ccccc45)n3)n1)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.41
ROCK1 Q13464 3/20 0.41
KDM4E B2RXH2 3/20 0.39
MAPK1 P28482 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TUBB4A P04350 2/20 0.34
TUBB P07437 2/20 0.34
TUBA3C P0DPH7 2/20 0.34
TUBA1B P68363 2/20 0.34
TUBA4A P68366 2/20 0.34
TUBB4B P68371 2/20 0.34
TUBB3 Q13509 2/20 0.34
TUBB2A Q13885 2/20 0.34
TUBB8 Q3ZCM7 2/20 0.34
TUBA3E Q6PEY2 2/20 0.34
TUBA1A Q71U36 2/20 0.34
TUBA1C Q9BQE3 2/20 0.34
TUBB6 Q9BUF5 2/20 0.34
TUBB2B Q9BVA1 2/20 0.34
TUBB1 Q9H4B7 2/20 0.34

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
SCHEMBL22229593 1.00 ROCK2 (0.41) ROCK2ROCK1KDM4EMAPK1NPSR1
SCHEMBL30189396 0.85 ROCK2 (0.43) ROCK2ROCK1KDM4EMAPK1NPSR1
SCHEMBL22229647 0.85 ROCK2 (0.43) ROCK2ROCK1KDM4EMAPK1NPSR1
SCHEMBL22229591 0.84 KDM4E (0.42) KDM4EMAPK1NPSR1ALDH1A1HPGD
SCHEMBL22229637 0.83 ROCK2 (0.46) ROCK2ROCK1KDM4EPDE10AALDH1A1
SCHEMBL30189500 0.83 ROCK2 (0.46) ROCK2ROCK1KDM4EPDE10AALDH1A1
SCHEMBL30189442 0.82 ROCK2 (0.52) ROCK2ROCK1KDM4EHPGDCYP1A2
SCHEMBL22229560 0.82 ROCK2 (0.52) ROCK2ROCK1KDM4EHPGDCYP1A2
SCHEMBL22229623 0.81 ROCK2 (0.45) ROCK2ROCK1PDE10AHCRTR1HCRTR2
SCHEMBL22229650 0.80 ROCK2 (0.43) ROCK2ROCK1PDE10AHCRTR1HCRTR2

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 2/4885ROCK1 1/4885KDM4E 2076/4885

“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.