SCHEMBL16854366

SCHEMBL16854366

N#Cc1cc(F)cc(-c2c[nH]c3nccc(N4CCOCC4)c23)c1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 16/20 0.72
ROCK2 O75116 4/20 0.60
ROCK1 Q13464 4/20 0.60
CDC42BPB Q9Y5S2 4/20 0.60
STK4 Q13043 4/20 0.58
STK3 Q13188 4/20 0.58
MST1 P26927 1/20 0.55
STK26 Q9P289 1/20 0.55

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
SCHEMBL16854357 0.90 LRRK2 (0.67) LRRK2ROCK2ROCK1CDC42BPBSTK4
SCHEMBL16854597 0.86 LRRK2 (0.74) LRRK2ROCK2ROCK1CDC42BPBSTK4
SCHEMBL16854260 0.85 ROCK2 (0.57) LRRK2ROCK2ROCK1CDC42BPBSTK4
SCHEMBL16854370 0.85 ROCK2 (0.61) LRRK2ROCK2ROCK1CDC42BPBSTK4
SCHEMBL16854253 0.85 LRRK2 (0.74) LRRK2ROCK2ROCK1CDC42BPBSTK4
SCHEMBL16854365 0.85 LRRK2 (0.61) LRRK2ROCK2ROCK1CDC42BPBSTK4
SCHEMBL16854254 0.83 ROCK2 (0.61) LRRK2ROCK2ROCK1CDC42BPBSTK4
SCHEMBL16854312 0.82 LRRK2 (0.76) LRRK2ROCK2ROCK1CDC42BPBSTK4
SCHEMBL16854179 0.82 LRRK2 (0.77) LRRK2ROCK2ROCK1CDC42BPBSTK4
SCHEMBL16854284 0.82 LRRK2 (0.72) LRRK2ROCK2ROCK1CDC42BPBSTK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3083618-B1 NOVEL 3,4-DISUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINES AND 4,5-DISUBSTITUTED-7H-PYRROLO[2,3-C]PYRIDAZINES AS LRRK2 INHIBITORS PFIZER (US) 2018-02-21 EP claimed
US-9695171-B2 3,4-disubstituted-1 H-pyrrolo[2,3-b]pyridines and 4,5-disubstituted-7H-pyrrolo[2,3-c]pyridazines as LRRK2 inhibitors PFIZER INC. (US) 2017-07-04 US claimed
US-20170002000-A1 NOVEL 3,4-DISUBSTITUTED-1H-PYRROLO[2,3-b]PYRIDINES AND 4,5-DISUBSTITUTED-7H-PYRROLO[2,3-c]PYRIDAZINES AS LRRK2 INHIBITORS PFIZER INC. (US) 2017-01-05 US claimed
EP-3083618-B1 NOVEL 3,4-DISUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINES AND 4,5-DISUBSTITUTED-7H-PYRROLO[2,3-C]PYRIDAZINES AS LRRK2 INHIBITORS PFIZER (US) 2018-02-21 EP disclosed
EP-3083618-B1 NOVEL 3,4-DISUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINES AND 4,5-DISUBSTITUTED-7H-PYRROLO[2,3-C]PYRIDAZINES AS LRRK2 INHIBITORS PFIZER (US) 2018-02-21 EP disclosed
US-9695171-B2 3,4-disubstituted-1 H-pyrrolo[2,3-b]pyridines and 4,5-disubstituted-7H-pyrrolo[2,3-c]pyridazines as LRRK2 inhibitors PFIZER INC. (US) 2017-07-04 US disclosed
US-9695171-B2 3,4-disubstituted-1 H-pyrrolo[2,3-b]pyridines and 4,5-disubstituted-7H-pyrrolo[2,3-c]pyridazines as LRRK2 inhibitors PFIZER INC. (US) 2017-07-04 US disclosed
US-9695171-B2 3,4-disubstituted-1 H-pyrrolo[2,3-b]pyridines and 4,5-disubstituted-7H-pyrrolo[2,3-c]pyridazines as LRRK2 inhibitors PFIZER INC. (US) 2017-07-04 US disclosed
US-20170002000-A1 NOVEL 3,4-DISUBSTITUTED-1H-PYRROLO[2,3-b]PYRIDINES AND 4,5-DISUBSTITUTED-7H-PYRROLO[2,3-c]PYRIDAZINES AS LRRK2 INHIBITORS PFIZER INC. (US) 2017-01-05 US disclosed
US-20170002000-A1 NOVEL 3,4-DISUBSTITUTED-1H-PYRROLO[2,3-b]PYRIDINES AND 4,5-DISUBSTITUTED-7H-PYRROLO[2,3-c]PYRIDAZINES AS LRRK2 INHIBITORS PFIZER INC. (US) 2017-01-05 US disclosed
US-20170002000-A1 NOVEL 3,4-DISUBSTITUTED-1H-PYRROLO[2,3-b]PYRIDINES AND 4,5-DISUBSTITUTED-7H-PYRROLO[2,3-c]PYRIDAZINES AS LRRK2 INHIBITORS PFIZER INC. (US) 2017-01-05 US disclosed
WO-2015092592-A1 NOVEL 3,4-DISUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINES AND 4,5-DISUBSTITUTED-7H-PYRROLO[2,3-C]PYRIDAZINES AS LRRK2 INHIBITORS PFIZER INC. (US) 2015-06-25 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-20170002000-A1 NOVEL 3,4-DISUBSTITUTED-1H-PYRROLO[2,3-b]PYRIDINES AND 4,5-DISUBSTITUTED-7H-PYRROLO[2,3-c]PYRIDAZINES AS LRRK2 INHIBITORS LRRK2, PARK7, BRCA1 LRRK2 1/4885ROCK2 505/4885ROCK1 472/4885

“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.