SCHEMBL24672968

SCHEMBL24672968

Clc1ccnc2[nH]cc(-c3cncnc3)c12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 18/20 0.58
▸ ROCK2 O75116 17/20 0.58
▸ CDC42BPA Q5VT25 4/20 0.58
▸ CDK2 P24941 2/20 0.58
▸ CDK9 P50750 2/20 0.58
▸ CDK5 Q00535 2/20 0.58
▸ LRRK2 Q5S007 2/20 0.58
▸ CDC7 O00311 1/20 0.58
▸ PLK4 O00444 1/20 0.58
▸ CHEK1 O14757 1/20 0.58
▸ MAPK13 O15264 1/20 0.58
▸ PDPK1 O15530 1/20 0.58
▸ DAPK3 O43293 1/20 0.58
▸ DYRK3 O43781 1/20 0.58
▸ PRKD3 O94806 1/20 0.58
▸ MAP4K4 O95819 1/20 0.58
▸ ABL1 P00519 1/20 0.58
▸ PRKCG P05129 1/20 0.58
▸ CDK1 P06493 1/20 0.58
▸ ROS1 P08922 1/20 0.58

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
SCHEMBL30668720 0.88 ROCK2 (0.60) ROCK1ROCK2CDC42BPACDK2CDK9
SCHEMBL20744209 0.88 ROCK2 (0.60) ROCK1ROCK2CDC42BPACDK2CDK9
SCHEMBL24672994 0.83 ROCK2 (0.62) ROCK1ROCK2CDC42BPACDK2CDK9
SCHEMBL24672937 0.83 ROCK1 (0.57) ROCK1ROCK2CDC42BPACDK2CDK9
SCHEMBL30668710 0.81 ROCK2 (0.60) ROCK1ROCK2CDC42BPACDK2CDK9
SCHEMBL20744032 0.81 ROCK2 (0.60) ROCK1ROCK2CDC42BPACDK2CDK9
SCHEMBL30668767 0.81 ROCK1 (0.57) ROCK1ROCK2CDC42BPACDC42BPB
SCHEMBL24672106 0.79 CDK2 (0.61) ROCK1ROCK2CDC42BPACDK2CDK9
SCHEMBL24672600 0.79 ROCK1 (0.53) ROCK1ROCK2CDC42BPACDK2CDK9
SCHEMBL2997144 0.78 CDK2 (0.64) ROCK1ROCK2CDC42BPACDK2CDK9

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 1054/4885ROCK2 1115/4885CDC42BPA 4/4885

“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.

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