SCHEMBL29779010

SCHEMBL29779010

Nc1cccc(Cn2ccc3cc(Br)ccc3c2=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.47
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
KDR P35968 4/20 0.39
FLT1 P17948 3/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL29136066 1.00 PLAU (0.47) PLAUROCK2ROCK1CYP11B1CYP11B2
SCHEMBL2120980 0.85 MAPK14 (0.48) ROCK2ROCK1KMT2AMAPK14HSP90AB1
SCHEMBL29136019 0.81 KMT2A (0.45) PLAUROCK2ROCK1HDAC3HDAC4
SCHEMBL30656512 0.81 KMT2A (0.45) PLAUROCK2ROCK1HDAC3HDAC4
SCHEMBL29136037 0.81 ROCK2 (0.62) ROCK2ROCK1HDAC3HDAC4HDAC1
SCHEMBL29136044 0.81 KMT2A (0.48) ROCK2ROCK1HPGDKMT2APOLB
SCHEMBL28061819 0.79 HDAC3 (0.47) CYP11B1CYP11B2HDAC3HDAC4HDAC1
SCHEMBL29136081 0.78 MEN1 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29136038 0.78 YTHDC1 (0.45) PLAUROCK2ROCK1HDAC3HDAC4
SCHEMBL29778946 0.78 YTHDC1 (0.45) PLAUROCK2ROCK1HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240374582-A1 SELECTIVE INHIBITORS OF ROCK1 AND ROCK2 PROTEIN KINASES AND THEIR USES THEREOF Genosco Inc. 2024-11-14 US disclosed
CN-117136186-A Selective inhibitors of ROCK1 and ROCK2 protein kinases and uses thereof 盖诺斯克公司 2023-11-28 CN disclosed
EP-4274825-A1 SELECTIVE INHIBITORS OF ROCK1 AND ROCK2 PROTEIN KINASES AND USES THEREOF Genosco Inc. (US) 2023-11-15 EP disclosed
WO-2022150381-A1 SELECTIVE INHIBITORS OF ROCK1 AND ROCK2 PROTEIN KINASES AND USES THEREOF Genosco Inc. (US) 2022-07-14 WO 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-20240374582-A1 SELECTIVE INHIBITORS OF ROCK1 AND ROCK2 PROTEIN KINASES AND THEIR USES THEREOF ROCK2, ROCK1, MYLK3 PLAU 3421/4885ROCK2 1/4885ROCK1 2/4885

“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.