SCHEMBL16854267

SCHEMBL16854267

Cn1cc(-c2c[nH]c3nccc(-c4ccc5scnc5c4)c23)cn1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 6/20 0.52
▸ ROCK1 Q13464 6/20 0.52
▸ CDC42BPB Q9Y5S2 6/20 0.52
▸ MAP3K11 Q16584 1/20 0.47
▸ RIPK2 O43353 3/20 0.46
▸ AURKA O14965 2/20 0.46
▸ AURKB Q96GD4 2/20 0.46
▸ INCENP Q9NQS7 2/20 0.46
▸ TPX2 Q9ULW0 2/20 0.46
▸ RIPK3 Q9Y572 1/20 0.46
▸ LRRK2 Q5S007 6/20 0.45
▸ CDC42BPA Q5VT25 3/20 0.45
▸ WNT1 P04628 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ DYRK1A Q13627 1/20 0.43
▸ MAPK1 P28482 1/20 0.41

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
SCHEMBL26174643 0.84 ROCK2 (0.56) ROCK2ROCK1CDC42BPBAURKAAURKB
SCHEMBL16835899 0.80 ROCK2 (0.56) ROCK2ROCK1CDC42BPBAURKAAURKB
SCHEMBL26174617 0.79 ROCK2 (0.53) ROCK2ROCK1CDC42BPBAURKAAURKB
SCHEMBL30400127 0.78 ROCK2 (0.53) ROCK2ROCK1CDC42BPBAURKAAURKB
SCHEMBL26174642 0.78 ROCK2 (0.53) ROCK2ROCK1CDC42BPBAURKAAURKB
SCHEMBL16854189 0.78 ROCK2 (0.62) ROCK2ROCK1CDC42BPBAURKAAURKB
SCHEMBL16835978 0.78 ROCK2 (0.62) ROCK2ROCK1CDC42BPBAURKAAURKB
SCHEMBL26174628 0.78 ROCK2 (0.52) ROCK2ROCK1CDC42BPBAURKAAURKB
SCHEMBL30400624 0.78 ROCK2 (0.52) ROCK2ROCK1CDC42BPBAURKAAURKB
SCHEMBL26174644 0.78 ROCK2 (0.52) ROCK2ROCK1CDC42BPBAURKAAURKB

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 ROCK2 505/4885ROCK1 472/4885CDC42BPB 361/4885

“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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