SCHEMBL3575451

SCHEMBL3575451

CCN(CC)CCOc1cc(-c2ccccc2)c2c(C#N)c[nH]c2n1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 12/20 0.55
HSP90AB1 P08238 4/20 0.52
KCNH2 Q12809 4/20 0.49
CHUK O15111 1/20 0.42

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
SCHEMBL3569526 0.82 HSP90AB1 (0.58) LRRK2HSP90AB1KCNH2
SCHEMBL3568836 0.80 LRRK2 (0.67) LRRK2HSP90AB1CHUK
SCHEMBL3560182 0.76 LRRK2 (0.69) LRRK2HSP90AB1KCNH2
SCHEMBL3579420 0.75 SRC (0.36) HSP90AB1
SCHEMBL12160916 0.72 HSP90AB1 (0.64) LRRK2HSP90AB1KCNH2CHUK
SCHEMBL12161119 0.72 HSP90AB1 (0.69) HSP90AB1KCNH2CHUK
SCHEMBL16177507 0.71 LRRK2 (1.00) LRRK2CHUK
SCHEMBL12160978 0.69 HSP90AB1 (0.91) HSP90AB1KCNH2
SCHEMBL2563070 0.69 HSP90AB1 (1.00) HSP90AB1KCNH2
SCHEMBL16178045 0.68 LRRK2 (1.00) LRRK2CHUK

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 7 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 claimed
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 2502/4885HSP90AB1 1/4885KCNH2 2054/4885

“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.