SCHEMBL29778591

SCHEMBL29778591

CN1CCC(CNC(=O)c2cc(F)cc(Cn3ccc4cc(-c5ccnn5C)ccc4c3=O)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.43
BRD4 O60885 1/20 0.42
HDAC4 P56524 1/20 0.41
WDR5 P61964 3/20 0.38
P2RX7 Q99572 2/20 0.38
ROCK2 O75116 2/20 0.37
EGLN1 Q9GZT9 2/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
PARP1 P09874 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
DRD2 P14416 1/20 0.36
PARG Q86W56 1/20 0.35
CACNA1H O95180 1/20 0.35

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
SCHEMBL29136011 1.00 MAP4K4 (0.43) MAP4K4BRD4HDAC4WDR5P2RX7
SCHEMBL29778999 0.93 AKT1 (0.39) MAP4K4WDR5P2RX7ROCK2
SCHEMBL24617629 0.93 AKT1 (0.39) MAP4K4WDR5P2RX7ROCK2
Hydrochloric Acid SCHEMBL29135938 0.92 AKT1 (0.40) WDR5P2RX7ROCK2
Hydrochloric Acid SCHEMBL29778490 0.92 AKT1 (0.40) WDR5P2RX7ROCK2
SCHEMBL24617628 0.90 BRD4 (0.46) MAP4K4BRD4HDAC4ROCK2PARP1
SCHEMBL29778607 0.90 BRD4 (0.46) MAP4K4BRD4HDAC4ROCK2PARP1
SCHEMBL24617644 0.90 P2RX7 (0.39) BRD4HDAC4WDR5P2RX7DYRK1A
SCHEMBL29778504 0.90 P2RX7 (0.39) BRD4HDAC4WDR5P2RX7DYRK1A
SCHEMBL24616954 0.85 P2RX7 (0.43) WDR5P2RX7ROCK2EGLN1

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 MAP4K4 174/4885BRD4 1564/4885HDAC4 1972/4885

“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.