SCHEMBL29640852

SCHEMBL29640852

C(#Cc1ccnc(-c2ccnc(N3Cc4ccc(OCCN5CCOCC5)cc4C3)n2)n1)c1ccc2[nH]ncc2c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 11/20 0.42
ROCK1 Q13464 6/20 0.42
NTRK1 P04629 5/20 0.38
LCK P06239 4/20 0.38
TGFBR1 P36897 1/20 0.38
KDR P35968 3/20 0.37
TIPARP Q7Z3E1 1/20 0.37
SRC P12931 1/20 0.37
NTRK3 Q16288 1/20 0.37
NTRK2 Q16620 1/20 0.37
ALK Q9UM73 1/20 0.37
PIK3CA P42336 1/20 0.37
CHEK1 O14757 1/20 0.36

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
SCHEMBL29908253 0.87 ROCK2 (0.49) ROCK2ROCK1TIPARP
SCHEMBL29627964 0.86 ROCK2 (0.46) ROCK2ROCK1
SCHEMBL29627828 0.84 ROCK2 (0.58) ROCK2ROCK1
SCHEMBL29627927 0.82 ROCK2 (0.46) ROCK2ROCK1
SCHEMBL29640440 0.82 ROCK2 (0.46) ROCK2ROCK1
SCHEMBL29627719 0.81 ROCK2 (0.53) ROCK2ROCK1
SCHEMBL29627761 0.81 ROCK2 (0.56) ROCK2ROCK1
SCHEMBL29627730 0.81 ROCK2 (0.61) ROCK2ROCK1
SCHEMBL29627940 0.81 ROCK2 (0.48) ROCK2ROCK1
SCHEMBL29640423 0.81 ROCK2 (0.56) 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 2 patents. 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
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 1/4885NTRK1 2325/4885

“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.