SCHEMBL24672191

SCHEMBL24672191

c1ncc(-c2c[nH]c3nccc(NC4CCNCC4)c23)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 19/20 1.00
CDC42BPB Q9Y5S2 19/20 1.00
ROCK2 O75116 18/20 1.00
CDC42BPA Q5VT25 5/20 0.61
USP2 O75604 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 1/20 0.51
ALOX15 P16050 1/20 0.51
HIF1A Q16665 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL29869707 1.00 ROCK1 (1.00) ROCK1CDC42BPBROCK2CDC42BPAUSP2
SCHEMBL29869785 0.86 ROCK1 (1.00) ROCK1CDC42BPBROCK2CDC42BPA
SCHEMBL30668732 0.86 ROCK1 (1.00) ROCK1CDC42BPBROCK2CDC42BPA
SCHEMBL24672139 0.86 ROCK1 (1.00) ROCK1CDC42BPBROCK2CDC42BPA
SCHEMBL24673288 0.86 ROCK1 (1.00) ROCK1CDC42BPBROCK2CDC42BPA
SCHEMBL24672965 0.86 ROCK1 (1.00) ROCK1CDC42BPBROCK2CDC42BPA
SCHEMBL29869292 0.85 ROCK1 (1.00) ROCK1CDC42BPBROCK2CDC42BPA
SCHEMBL24672478 0.85 ROCK1 (1.00) ROCK1CDC42BPBROCK2CDC42BPA
SCHEMBL24672477 0.82 ROCK1 (1.00) ROCK1CDC42BPBROCK2CDC42BPA
SCHEMBL30668726 0.82 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 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.