SCHEMBL20774897

SCHEMBL20774897

CC1CCN(c2nccc(Nc3ccc(-c4ccncc4)cc3)n2)CCN1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 18/20 1.00
▸ ROCK1 Q13464 8/20 1.00
▸ HSP90AA1 P07900 1/20 0.49
▸ HSP90AB1 P08238 1/20 0.49
▸ CCNE1 P24864 1/20 0.46
▸ CDK2 P24941 1/20 0.46

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
SCHEMBL22126118 0.88 ROCK2 (0.78) ROCK2ROCK1HSP90AA1HSP90AB1
SCHEMBL20774886 0.88 ROCK2 (0.78) ROCK2ROCK1HSP90AA1HSP90AB1
SCHEMBL25630333 0.88 ROCK2 (0.78) ROCK2ROCK1CCNE1CDK2
SCHEMBL20774512 0.85 ROCK2 (0.74) ROCK2ROCK1CCNE1CDK2
SCHEMBL20774640 0.85 ROCK2 (0.75) ROCK2ROCK1HSP90AA1HSP90AB1CCNE1
SCHEMBL20784036 0.84 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL20784059 0.81 ROCK2 (0.75) ROCK2ROCK1HSP90AA1HSP90AB1
SCHEMBL25630335 0.80 ROCK2 (0.68) ROCK2ROCK1HSP90AA1HSP90AB1
SCHEMBL20784147 0.79 ROCK2 (0.84) ROCK2ROCK1
SCHEMBL30611462 0.77 ROCK2 (0.63) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111587112-B Rho-related inhibitors of coiled-coil-containing protein kinases 卡德门企业有限公司 2023-10-10 — — CN disclosed
US-20230174519-A1 Inhibitors of Rho Associated Coiled-Coil Containing Protein Kinase KADMON CORPORATION, LLC (US) 2023-06-08 — — US disclosed
US-20230174519-A1 Inhibitors of Rho Associated Coiled-Coil Containing Protein Kinase KADMON CORPORATION, LLC (US) 2023-06-08 — — US disclosed
US-20230174519-A1 Inhibitors of Rho Associated Coiled-Coil Containing Protein Kinase KADMON CORPORATION, LLC (US) 2023-06-08 — — US disclosed
US-11613531-B2 Inhibitors of RHO associated coiled-coil containing protein kinase KADMON CORPORATION, LLC (US) 2023-03-28 — — US disclosed
CN-111587112-A Rho-related inhibitors of coiled coil protein kinase 卡德门企业有限公司 2020-08-25 — — CN disclosed
EP-3675861-A1 INHIBITORS OF RHO ASSOCIATED COILED-COIL CONTAINING PROTEIN KINASE Kadmon Corporation, LLC (US) 2020-07-08 — — EP disclosed
US-20200199109-A1 Inhibitors of RHO Associated Coiled-Coil Containing Protein Kinase KADMON CORPORATION, LLC 2020-06-25 — — US disclosed
US-20200199109-A1 Inhibitors of RHO Associated Coiled-Coil Containing Protein Kinase KADMON CORPORATION, LLC 2020-06-25 — — US disclosed
WO-2019045824-A1 INHIBITORS OF RHO ASSOCIATED COILED-COIL CONTAINING PROTEIN KINASE KADMON CORPORATION, LLC (US) 2019-03-07 — — WO disclosed
WO-2019045824-A1 INHIBITORS OF RHO ASSOCIATED COILED-COIL CONTAINING PROTEIN KINASE KADMON CORPORATION, LLC (US) 2019-03-07 — — 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 (3 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-20230174519-A1 Inhibitors of Rho Associated Coiled-Coil Containing Protein Kinase ROCK1, ROCK2, RHOT2 ROCK2 2/4885ROCK1 1/4885HSP90AA1 444/4885
US-20200199109-A1 Inhibitors of RHO Associated Coiled-Coil Containing Protein Kinase ROCK1, ROCK2, RHOT2 ROCK2 2/4885ROCK1 1/4885HSP90AA1 444/4885
US-11613531-B2 Inhibitors of RHO associated coiled-coil containing protein kinase ROCK1, ROCK2, RHOT2 ROCK2 2/4885ROCK1 1/4885HSP90AA1 444/4885

“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.

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