SCHEMBL3561097

SCHEMBL3561097

N#Cc1c[nH]c2nccc(I)c12

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 11/20 0.66
ROCK2 O75116 9/20 0.62
ROCK1 Q13464 9/20 0.62
CDC42BPB Q9Y5S2 9/20 0.62
CDC42BPA Q5VT25 5/20 0.62

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
SCHEMBL19779567 0.86 LRRK2 (0.57) LRRK2ROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL26930286 0.79 LRRK2 (0.66) LRRK2ROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL30674338 0.79 LRRK2 (0.66) LRRK2ROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL30543157 0.79 LRRK2 (1.00) LRRK2ROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL16190651 0.79 LRRK2 (0.67) LRRK2ROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL2105745 0.79 LRRK2 (1.00) LRRK2ROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL20744117 0.77 ROCK2 (1.00) LRRK2ROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL30668734 0.77 ROCK2 (1.00) LRRK2ROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL29869471 0.76 ROCK2 (1.00) LRRK2ROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL20758415 0.76 ROCK2 (1.00) LRRK2ROCK2ROCK1CDC42BPBCDC42BPA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100010037-A1 1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES USEFUL AS HSP90 INHIBITORS VERNALIS (R&D) LTD. (GB) 2010-01-14 US disclosed
US-20100010037-A1 1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES USEFUL AS HSP90 INHIBITORS VERNALIS (R&D) LTD. (GB) 2010-01-14 US disclosed
US-20100010037-A1 1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES USEFUL AS HSP90 INHIBITORS VERNALIS (R&D) LTD. (GB) 2010-01-14 US disclosed
EP-2057155-A1 1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES USEFUL AS HSP90 INHIBITORS Vernalis (R&D) Limited (GB) 2009-05-13 EP disclosed
WO-2008025947-A1 1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES USEFUL AS HSP90 INHIBITORS VERNALIS (R & D) LTD. (GB) 2008-03-06 WO disclosed
WO-2008025947-A1 1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES USEFUL AS HSP90 INHIBITORS VERNALIS (R & D) LTD. (GB) 2008-03-06 WO 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-20100010037-A1 1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES USEFUL AS HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P LRRK2 2502/4885ROCK2 294/4885ROCK1 153/4885

“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.