SCHEMBL3574929

SCHEMBL3574929

Cc1ccc(-c2ccnc3[nH]cc(C#N)c23)c(C)c1

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 14/20 0.72
HSP90AB1 P08238 2/20 0.67
ROCK2 O75116 4/20 0.53
ROCK1 Q13464 4/20 0.53
CDC42BPB Q9Y5S2 4/20 0.53
CDC42BPA Q5VT25 3/20 0.53

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
SCHEMBL28049906 0.81 LRRK2 (0.79) LRRK2HSP90AB1ROCK2ROCK1CDC42BPB
SCHEMBL16178118 0.81 LRRK2 (1.00) LRRK2HSP90AB1ROCK2ROCK1CDC42BPB
SCHEMBL2562516 0.81 HSP90AB1 (1.00) LRRK2HSP90AB1ROCK2ROCK1CDC42BPB
SCHEMBL13543854 0.80 HSP90AB1 (0.45) LRRK2HSP90AB1ROCK2ROCK1CDC42BPB
SCHEMBL14260172 0.80 HSP90AB1 (0.48) LRRK2HSP90AB1ROCK2ROCK1CDC42BPB
SCHEMBL16190651 0.78 LRRK2 (0.67) LRRK2HSP90AB1ROCK2ROCK1CDC42BPB
SCHEMBL3566122 0.76 HSP90AB1 (0.43) LRRK2HSP90AB1ROCK2ROCK1CDC42BPB
SCHEMBL3565489 0.76 LRRK2 (0.72) LRRK2ROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL3571954 0.73 HSP90AB1 (0.40) LRRK2HSP90AB1ROCK2ROCK1CDC42BPB
SCHEMBL2568064 0.73 HSP90AB1 (0.71) LRRK2HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2986608-B1 ARYLPYRROLOPYRIDINE DERIVED COMPOUNDS AS LRRK2 INHIBITORS H LUNDBECK AS (DK) 2017-08-23 EP claimed
EP-2986608-A1 ARYLPYRROLOPYRIDINE DERIVED COMPOUNDS AS LRRK2 INHIBITORS H. Lundbeck A/S (DK) 2016-02-24 EP claimed
WO-2014170248-A1 ARYLPYRROLOPYRIDINE DERIVED COMPOUNDS AS LRRK2 INHIBITORS H. LUNDBECK A/S (DK) 2014-10-23 WO claimed
US-20140315901-A1 Arylpyrrolopyridine derived compounds as LRRK2 inhibitors H. LUNDBECK A/S (DK) 2014-10-23 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 claimed
EP-2986608-B1 ARYLPYRROLOPYRIDINE DERIVED COMPOUNDS AS LRRK2 INHIBITORS H LUNDBECK AS (DK) 2017-08-23 EP disclosed
US-9675594-B2 Arylpyrrolopyridine derived compounds as LRRK2 inhibitors H. LUNDBECK A/S (DK) 2017-06-13 US disclosed
US-20170020850-A1 Arylpyrrolopyridine Derived Compounds as LRRK2 Inhibitors H. Lundebck A/S (DK) 2017-01-26 US disclosed
US-9499542-B2 Arylpyrrolopyridine derived compounds as LRRK2 inhibitors H. LUNDBECK A/S (DK) 2016-11-22 US disclosed
US-20160102089-A1 Arylpyrrolopyridine derived compounds as LRRK2 inhibitors H. LUNDBECK A/S (DK) 2016-04-14 US disclosed
EP-2986608-A1 ARYLPYRROLOPYRIDINE DERIVED COMPOUNDS AS LRRK2 INHIBITORS H. Lundbeck A/S (DK) 2016-02-24 EP disclosed
WO-2014170248-A1 ARYLPYRROLOPYRIDINE DERIVED COMPOUNDS AS LRRK2 INHIBITORS H. LUNDBECK A/S (DK) 2014-10-23 WO disclosed
US-20140315901-A1 Arylpyrrolopyridine derived compounds as LRRK2 inhibitors H. LUNDBECK A/S (DK) 2014-10-23 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
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 (4 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-20170020850-A1 Arylpyrrolopyridine Derived Compounds as LRRK2 Inhibitors LRRK2, PARK7, SNCA LRRK2 1/4885HSP90AB1 1027/4885ROCK2 1125/4885
US-20100010037-A1 1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES USEFUL AS HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P LRRK2 2502/4885HSP90AB1 1/4885ROCK2 294/4885
US-20160102089-A1 Arylpyrrolopyridine derived compounds as LRRK2 inhibitors LRRK2, PARK7, SNCA LRRK2 1/4885HSP90AB1 779/4885ROCK2 1357/4885
US-20140315901-A1 Arylpyrrolopyridine derived compounds as LRRK2 inhibitors LRRK2, PARK7, SNCA LRRK2 1/4885HSP90AB1 1097/4885ROCK2 1147/4885

“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.