SCHEMBL24672440

SCHEMBL24672440

CN(C)C(=O)C1(NC(=O)OC(C)(C)C)CCN(c2ccnc3[nH]cc(-c4cncnc4)c23)CC1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 20/20 0.53
CDC42BPB Q9Y5S2 20/20 0.53
ROCK2 O75116 16/20 0.53
CDC42BPA Q5VT25 6/20 0.53

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
SCHEMBL24672435 0.91 ROCK1 (0.56) ROCK1CDC42BPBROCK2CDC42BPA
SCHEMBL24673173 0.90 ROCK1 (0.55) ROCK1CDC42BPBROCK2CDC42BPA
SCHEMBL30668777 0.82 ROCK1 (0.61) ROCK1CDC42BPBROCK2CDC42BPA
SCHEMBL24673183 0.82 ROCK1 (0.61) ROCK1CDC42BPBROCK2CDC42BPA
SCHEMBL24673038 0.79 ROCK1 (0.69) ROCK1CDC42BPBROCK2CDC42BPA
SCHEMBL24672409 0.79 ROCK1 (0.62) ROCK1CDC42BPBROCK2CDC42BPA
SCHEMBL30668747 0.78 RET (0.33) ROCK1CDC42BPBROCK2CDC42BPA
SCHEMBL24672657 0.78 ROCK1 (0.61) ROCK1CDC42BPBROCK2CDC42BPA
SCHEMBL24672126 0.77 ROCK1 (0.66) ROCK1CDC42BPBROCK2CDC42BPA
SCHEMBL24673083 0.76 ROCK1 (0.64) ROCK1CDC42BPBROCK2CDC42BPA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11447505-B1 Pyrrolo[2,3-b]pyridine compounds and their use in the treatment of cancer CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2022-09-20 US 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-11447505-B1 Pyrrolo[2,3-b]pyridine compounds and their use in the treatment of cancer PDXK, CCNK, CDC42BPB ROCK1 1054/4885CDC42BPB 3/4885ROCK2 1115/4885

“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.