SCHEMBL24672932

SCHEMBL24672932

CC(C)N(C(=O)OC(C)(C)C)[C@H]1CCCN(c2ccnc3[nH]cc(-c4cncnc4)c23)C1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 0.66
ROCK1 Q13464 20/20 0.66
CDC42BPB Q9Y5S2 20/20 0.66
CDC42BPA Q5VT25 11/20 0.66

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
SCHEMBL24673154 0.90 ROCK2 (0.72) ROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL24673162 0.90 ROCK2 (0.72) ROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL24672127 0.90 ROCK2 (0.72) ROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL24673169 0.89 ROCK2 (0.69) ROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL24673161 0.88 ROCK2 (0.66) ROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL24672405 0.85 ROCK2 (0.62) ROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL24672664 0.84 ROCK2 (0.63) ROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL24672436 0.82 ROCK1 (0.61) ROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL24672657 0.82 ROCK1 (0.61) ROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL24672132 0.81 ROCK1 (0.70) ROCK2ROCK1CDC42BPBCDC42BPA

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 ROCK2 1115/4885ROCK1 1054/4885CDC42BPB 3/4885

“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.