SCHEMBL2104972

SCHEMBL2104972

N#Cc1cn(S(=O)(=O)c2ccccc2)c2nccc(Cl)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.38
LRRK2 Q5S007 2/20 0.38
ENPP3 O14638 1/20 0.37
ENPP1 P22413 1/20 0.37
HTR6 P50406 3/20 0.37
PKM P14618 2/20 0.37
MET P08581 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PPME1 Q9Y570 1/20 0.34
HSD11B1 P28845 1/20 0.34
PIK3CD O00329 1/20 0.34
GAA P10253 2/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL16177468 0.82 CYP2C19 (0.36) CYP2C19PTGDR2HTR6KDM4EALDH1A1
SCHEMBL1050296 0.81 CYP2C19 (0.45) CYP2C19ENPP3ENPP1HTR6PKM
SCHEMBL16050462 0.81 CYP2C19 (0.45) CYP2C19PTGDR2ENPP3ENPP1HTR6
SCHEMBL2105176 0.81 CYP2C19 (0.45) CYP2C19PTGDR2ENPP3ENPP1HTR6
SCHEMBL16186392 0.80 PTGDR2 (0.33) CYP2C19PTGDR2LRRK2HTR6PKM
SCHEMBL16178277 0.78 LRRK2 (0.40) CYP2C19LRRK2HTR6METKDM4E
SCHEMBL27815784 0.78 CYP2C19 (0.42) CYP2C19PTGDR2ENPP3ENPP1HTR6
SCHEMBL2237471 0.77 LMNA (0.51) CYP2C19PTGDR2ENPP3ENPP1HTR6
Pyrimidine SCHEMBL27835166 0.76 CYP2C19 (0.40) CYP2C19PTGDR2ENPP3ENPP1HTR6
SCHEMBL28161675 0.76 CYP2C19 (0.40) CYP2C19PTGDR2ENPP3ENPP1HTR6

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 disclosed
US-9675594-B2 Arylpyrrolopyridine derived compounds as LRRK2 inhibitors H. LUNDBECK A/S (DK) 2017-06-13 US 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-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-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
US-20160102089-A1 Arylpyrrolopyridine derived compounds as LRRK2 inhibitors H. LUNDBECK A/S (DK) 2016-04-14 US disclosed
CN-105263930-A Arylpyrrolopyridine derived compounds as lrrk2 inhibitors LUNDBECK & CO AS H 2016-01-20 CN disclosed
US-20140315901-A1 Arylpyrrolopyridine derived compounds as LRRK2 inhibitors H. LUNDBECK A/S (DK) 2014-10-23 US disclosed
US-20140315901-A1 Arylpyrrolopyridine derived compounds as LRRK2 inhibitors H. LUNDBECK A/S (DK) 2014-10-23 US disclosed
US-8163767-B2 Heterocyclic Janus Kinase 3 inhibitors ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
CN-102127078-A Heterocyclic janus kinase 3 inhibitors ASTELLAS PHARMA INC 2011-07-20 CN disclosed
EP-2251341-A1 Heterocyclic Janus kinase 3 inhibitors Astellas Pharma Inc. (JP) 2010-11-17 EP disclosed
US-20090264399-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-10-22 US disclosed
CN-101223168-A Heterocyclic JANUS kinase 3 inhibitors ASTELLAS PHARMA INC (JP) 2008-07-16 CN disclosed
EP-1910358-A2 HETEROCYCLIC JANUS KINASE 3 INHIBITORS Astellas Pharma Inc. (JP) 2008-04-16 EP disclosed
WO-2007007919-A2 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-01-18 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 CYP2C19 2498/4885PTGDR2 2582/4885LRRK2 1/4885
US-20090264399-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS JAK3, JAK2, JAK1 CYP2C19 1448/4885PTGDR2 1630/4885LRRK2 444/4885
US-20160102089-A1 Arylpyrrolopyridine derived compounds as LRRK2 inhibitors LRRK2, PARK7, SNCA CYP2C19 2082/4885PTGDR2 2454/4885LRRK2 1/4885
US-20140315901-A1 Arylpyrrolopyridine derived compounds as LRRK2 inhibitors LRRK2, PARK7, SNCA CYP2C19 2177/4885PTGDR2 2698/4885LRRK2 1/4885

“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.