SCHEMBL29869963

SCHEMBL29869963

CN[C@H]1CCCN(c2ccnc3[nH]ccc23)C1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PBK Q96KB5 2/20 0.70
DOT1L Q8TEK3 1/20 0.67
ROCK1 Q13464 16/20 0.61
CDC42BPB Q9Y5S2 16/20 0.61
ROCK2 O75116 15/20 0.61
CDC42BPA Q5VT25 10/20 0.61
AKT2 P31751 1/20 0.57

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
SCHEMBL8229325 0.82 PBK (1.00) PBKDOT1LROCK1CDC42BPBROCK2
SCHEMBL12605440 0.79 AKT2 (0.70) PBKROCK1CDC42BPBROCK2CDC42BPA
SCHEMBL12605530 0.78 AKT2 (0.68) PBKROCK1CDC42BPBROCK2CDC42BPA
SCHEMBL12696330 0.78 DOT1L (0.52) PBKDOT1LROCK1CDC42BPBROCK2
SCHEMBL8235149 0.77 PBK (1.00) PBKDOT1LAKT2
SCHEMBL24673286 0.76 ROCK1 (1.00) ROCK1CDC42BPBROCK2CDC42BPA
SCHEMBL24672662 0.76 ROCK1 (1.00) ROCK1CDC42BPBROCK2CDC42BPA
SCHEMBL24673198 0.75 ROCK1 (1.00) ROCK1CDC42BPBROCK2CDC42BPA
SCHEMBL20758557 0.75 ROCK1 (1.00) ROCK1CDC42BPBROCK2CDC42BPA
SCHEMBL29869567 0.75 ROCK1 (1.00) 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 PBK 121/4885DOT1L 1862/4885ROCK1 1054/4885

“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.