SCHEMBL30189396

SCHEMBL30189396

COc1ccc2c(c1)CN(c1nccc(-c3nccc(/C=C/c4ccnc5[nH]ccc45)n3)n1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 9/20 0.43
ROCK1 Q13464 5/20 0.43
JAK2 O60674 1/20 0.35
TYK2 P29597 1/20 0.35
PRKCA P17252 1/20 0.34
PRKCE Q02156 1/20 0.34
CCNK O75909 2/20 0.33
CDK12 Q9NYV4 2/20 0.33
NUDT1 P36639 1/20 0.33
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR3 P22607 1/20 0.33
KDR P35968 1/20 0.33
CCNT1 O60563 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CDK9 P50750 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL22229647 1.00 ROCK2 (0.43) ROCK2ROCK1JAK2TYK2PRKCA
SCHEMBL22229593 0.85 ROCK2 (0.41) ROCK2ROCK1KDRKDM4EMAPK1
SCHEMBL30189498 0.85 ROCK2 (0.41) ROCK2ROCK1KDRKDM4EMAPK1
SCHEMBL22229623 0.83 ROCK2 (0.45) ROCK2ROCK1SCN9A
SCHEMBL30189500 0.81 ROCK2 (0.46) ROCK2ROCK1KDM4E
SCHEMBL22229637 0.81 ROCK2 (0.46) ROCK2ROCK1KDM4E
SCHEMBL22229560 0.81 ROCK2 (0.52) ROCK2ROCK1KDM4E
SCHEMBL30189442 0.81 ROCK2 (0.52) ROCK2ROCK1KDM4E
SCHEMBL22242924 0.79 ROCK2 (0.54) ROCK2ROCK1
SCHEMBL22229650 0.78 ROCK2 (0.43) ROCK2ROCK1

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 1/4885JAK2 416/4885

“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.