SCHEMBL24673025

SCHEMBL24673025

CC(C)(C)OC(=O)N1CCCCC12CCCN(c1ccnc3[nH]cc(C(=N)/N=C\S)c13)C2

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.48
ROCK1 Q13464 17/20 0.42
CDC42BPB Q9Y5S2 17/20 0.42
ROCK2 O75116 12/20 0.42
CDC42BPA Q5VT25 9/20 0.42
NAMPT P43490 1/20 0.36

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
SCHEMBL24673116 0.83 JAK3 (0.50) JAK3ROCK1CDC42BPBROCK2CDC42BPA
SCHEMBL24672948 0.77 CDC42BPB (0.62) ROCK1CDC42BPBROCK2CDC42BPA
SCHEMBL24672467 0.77 CDC42BPB (0.62) ROCK1CDC42BPBROCK2CDC42BPA
SCHEMBL24673083 0.77 ROCK1 (0.64) ROCK1CDC42BPBROCK2CDC42BPA
SCHEMBL24673150 0.76 ROCK1 (0.53) JAK3ROCK1CDC42BPBROCK2CDC42BPA
SCHEMBL24672151 0.74 CDC42BPB (0.61) ROCK1CDC42BPBROCK2CDC42BPA
SCHEMBL24673059 0.72 ROCK1 (0.62) JAK3ROCK1CDC42BPBROCK2CDC42BPA
SCHEMBL24673049 0.72 EIF2AK4 (0.42) ROCK1CDC42BPBROCK2CDC42BPA
SCHEMBL24672418 0.71 ROCK1 (0.41) ROCK1CDC42BPBROCK2CDC42BPANAMPT
SCHEMBL20757701 0.70 ROCK1 (0.40) 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 JAK3 669/4885ROCK1 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.