SCHEMBL24672418

SCHEMBL24672418

CC(C)(C)OC(=O)N1CCC2(CCCN(c3ccnc4[nH]cc(/C(C=N)=C/C=N)c34)C2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 8/20 0.41
CDC42BPB Q9Y5S2 8/20 0.41
TSHR P16473 3/20 0.39
HSD17B10 Q99714 3/20 0.39
CYP11B2 P19099 1/20 0.39
ROCK2 O75116 4/20 0.39
CDC42BPA Q5VT25 3/20 0.39
CYP2D6 P10635 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
EIF2AK4 Q9P2K8 2/20 0.39
CYP1A2 P05177 2/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 2/20 0.38
MAPK1 P28482 1/20 0.37
NAMPT P43490 2/20 0.37
RET P07949 1/20 0.37
HIF1A Q16665 1/20 0.37
SCD5 Q86SK9 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
SCHEMBL24673113 0.96 CYP11B2 (0.42) ROCK1CDC42BPBTSHRHSD17B10CYP11B2
SCHEMBL24673049 0.95 EIF2AK4 (0.42) ROCK1CDC42BPBROCK2CDC42BPAEIF2AK4
SCHEMBL24673069 0.75 ROCK1 (0.45) ROCK1CDC42BPBROCK2CDC42BPA
SCHEMBL20757850 0.74 CDC42BPB (0.63) ROCK1CDC42BPBROCK2CDC42BPA
SCHEMBL24672167 0.74 CDC42BPB (0.63) ROCK1CDC42BPBROCK2CDC42BPA
SCHEMBL24672492 0.74 CDC42BPB (0.63) ROCK1CDC42BPBROCK2CDC42BPA
SCHEMBL24672917 0.73 ROCK1 (0.41) ROCK1CDC42BPBROCK2CDC42BPA
SCHEMBL24672118 0.73 ROCK1 (0.56) ROCK1CDC42BPBROCK2CDC42BPA
SCHEMBL24672409 0.73 ROCK1 (0.62) ROCK1CDC42BPBCYP11B2ROCK2CDC42BPA
SCHEMBL13156801 0.72 CYP11B2 (0.52) TSHRHSD17B10CYP11B2CYP2D6CYP2C9

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 3/4885TSHR 4248/4885

“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.