SCHEMBL16854596

SCHEMBL16854596

Cc1ccc(S(=O)(=O)n2cc(-c3cccc(C#N)c3)c3c(Cl)ccnc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
ELANE P08246 1/20 0.42
BCL6 P41182 1/20 0.39
CLK4 Q9HAZ1 2/20 0.39
DYRK1A Q13627 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
SCN9A Q15858 1/20 0.37
HSD11B1 P28845 2/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
RORC P51449 1/20 0.35
GRM5 P41594 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL15805469 0.87 L3MBTL1 (0.42) MAPTLMNAHTTL3MBTL1SCN9A
SCHEMBL13306502 0.83 ELANE (0.57) MAPTMEN1LMNAHTTKMT2A
SCHEMBL15805329 0.83 ALDH1A1 (0.44) MEN1KMT2AL3MBTL1HSD17B10TDP1
SCHEMBL18356400 0.82 LRRK2 (0.43) MAPTMEN1LMNAHTTKMT2A
SCHEMBL15805410 0.82 PKM (0.46) MEN1LMNAHTTKMT2AL3MBTL1
SCHEMBL20744459 0.81 L3MBTL1 (0.45) MAPTLMNAELANEL3MBTL1HSD11B1
SCHEMBL30674345 0.81 L3MBTL1 (0.45) MAPTLMNAELANEL3MBTL1HSD11B1
SCHEMBL15805335 0.80 SCN9A (0.40) MAPTMEN1KMT2ADYRK1AL3MBTL1
SCHEMBL16023207 0.80 KDM4E (0.46) MAPTMEN1LMNAKMT2AL3MBTL1
SCHEMBL15805388 0.80 L3MBTL1 (0.38) MEN1HTTKMT2AL3MBTL1HSD11B1

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
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-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 MAPT 73/4885MEN1 2491/4885LMNA 2627/4885

“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.