SCHEMBL6405625

SCHEMBL6405625

Nc1nonc1-c1nc2ccccc2n1C1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ RPS6KB1 P23443 13/20 1.00
▸ PRKACA P17612 11/20 1.00
▸ GSK3B P49841 11/20 1.00
▸ ROCK1 Q13464 10/20 1.00
▸ RPS6KA5 O75582 3/20 0.73
▸ TSHR P16473 1/20 0.58

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
SCHEMBL6401655 0.94 RPS6KB1 (1.00) RPS6KB1PRKACAGSK3BROCK1RPS6KA5
SCHEMBL6407241 0.88 RPS6KB1 (0.84) RPS6KB1PRKACAGSK3BROCK1RPS6KA5
SCHEMBL4714279 0.84 RPS6KA5 (1.00) RPS6KB1PRKACAGSK3BROCK1RPS6KA5
SCHEMBL4716563 0.83 RPS6KA5 (0.98) RPS6KB1PRKACAGSK3BROCK1RPS6KA5
SCHEMBL4717559 0.81 RPS6KA5 (0.93) RPS6KB1PRKACAGSK3BROCK1RPS6KA5
SCHEMBL4718814 0.78 RPS6KA5 (1.00) RPS6KB1PRKACAGSK3BROCK1RPS6KA5
SCHEMBL6403535 0.78 RPS6KB1 (0.66) RPS6KB1PRKACAGSK3BROCK1RPS6KA5
SCHEMBL31267414 0.76 RPS6KB1 (0.62) RPS6KB1PRKACAGSK3BROCK1
SCHEMBL6402982 0.76 RPS6KB1 (1.00) RPS6KB1PRKACAGSK3BROCK1RPS6KA5
SCHEMBL28236159 0.76 CYP11B2 (0.63) RPS6KB1PRKACAGSK3BROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050153978-A1 Medicaments GLAXO GROUP LIMITED (GB) 2005-07-14 — — US disclosed
EP-1487441-A2 BENZIMIDAZOLES AND THEIR USE AS MITOGEN-ACTIVATED- AND RHO-KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-22 — — EP disclosed
WO-2003080125-A2 BENZIMIDAZOLES AND THEIR USE AS MITOGEN-ACTIVATED- AND RHO-KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-10-02 — — 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-20050153978-A1 Medicaments GRK1, ROCK1, GRK7 RPS6KB1 63/4885PRKACA 595/4885GSK3B 403/4885

“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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