SCHEMBL29778607

SCHEMBL29778607

CN1CCC(CNC(=O)c2cccc(Cn3ccc4cc(-c5ccnn5C)ccc4c3=O)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.46
ROCK2 O75116 5/20 0.45
PARP1 P09874 1/20 0.45
MAP1LC3B Q9GZQ8 1/20 0.43
MAP1LC3A Q9H492 1/20 0.43
GLS O94925 2/20 0.42
MAP4K4 O95819 1/20 0.42
HDAC4 P56524 4/20 0.40
HDAC3 O15379 3/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC7 Q8WUI4 3/20 0.40
HDAC2 Q92769 3/20 0.40
HDAC10 Q969S8 3/20 0.40
HDAC11 Q96DB2 3/20 0.40
HDAC8 Q9BY41 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
HDAC9 Q9UKV0 3/20 0.40
HDAC5 Q9UQL6 3/20 0.40
MAPK10 P53779 1/20 0.39
DRD2 P14416 1/20 0.39

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
SCHEMBL24617628 1.00 BRD4 (0.46) BRD4ROCK2PARP1MAP1LC3BMAP1LC3A
SCHEMBL24617640 0.92 PARP1 (0.43) BRD4ROCK2PARP1MAP1LC3BMAP1LC3A
SCHEMBL29778468 0.92 MAP1LC3B (0.47) BRD4ROCK2PARP1MAP1LC3BMAP1LC3A
SCHEMBL24616892 0.92 MAP1LC3B (0.47) BRD4ROCK2PARP1MAP1LC3BMAP1LC3A
SCHEMBL24616895 0.92 MAP1LC3B (0.44) BRD4ROCK2MAP1LC3BMAP1LC3AHDAC8
SCHEMBL29778567 0.92 MAP1LC3B (0.44) BRD4ROCK2MAP1LC3BMAP1LC3AHDAC8
SCHEMBL24617643 0.91 HDAC3 (0.41) BRD4ROCK2PARP1MAP1LC3BMAP1LC3A
SCHEMBL29778658 0.90 MAP1LC3B (0.43) BRD4ROCK2PARP1MAP1LC3BMAP1LC3A
SCHEMBL24616896 0.90 MAP1LC3B (0.43) BRD4ROCK2PARP1MAP1LC3BMAP1LC3A
SCHEMBL29778591 0.90 MAP4K4 (0.43) BRD4ROCK2PARP1MAP4K4HDAC4

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 8 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 claimed
CN-117136186-A Selective inhibitors of ROCK1 and ROCK2 protein kinases and uses thereof 盖诺斯克公司 2023-11-28 CN claimed
EP-4274825-A1 SELECTIVE INHIBITORS OF ROCK1 AND ROCK2 PROTEIN KINASES AND USES THEREOF Genosco Inc. (US) 2023-11-15 EP claimed
WO-2022150381-A1 SELECTIVE INHIBITORS OF ROCK1 AND ROCK2 PROTEIN KINASES AND USES THEREOF Genosco Inc. (US) 2022-07-14 WO claimed
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 BRD4 1564/4885ROCK2 1/4885PARP1 1532/4885

“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.