SCHEMBL5021297

SCHEMBL5021297

Nc1cnn(C2COC2)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 9/20 0.39
KCNH2 Q12809 2/20 0.33
MAP3K12 Q12852 5/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 1/20 0.32
KIT P10721 1/20 0.31
KAT2B Q92831 1/20 0.31
CNR2 P34972 1/20 0.30
CYP1A2 P05177 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL21087663 0.89 LRRK2 (0.44) LRRK2KCNH2MAP3K12KAT2B
SCHEMBL21850251 0.86 LRRK2 (0.47) LRRK2KCNH2MAP3K12KAT2BALOX15
SCHEMBL15651251 0.82 ALOX15 (0.40) LRRK2KCNH2CNR2ALOX15
SCHEMBL5021106 0.82 PDE4D (0.43) LRRK2PDE1BPDE1CALOX15
SCHEMBL16985571 0.80 LRRK2 (0.37) LRRK2KCNH2MAP3K12KAT2B
SCHEMBL21850266 0.80 LRRK2 (0.37) LRRK2KCNH2MAP3K12KAT2B
SCHEMBL16985492 0.80 LRRK2 (0.37) LRRK2KCNH2MAP3K12KAT2B
SCHEMBL23284540 0.79 CNR2 (0.39) LRRK2MAP3K12CNR2ALOX15
SCHEMBL4561032 0.78 LRRK2 (0.40) LRRK2KCNH2PDE1BPDE1CKIT
SCHEMBL16975418 0.77 KAT2B (0.35) LRRK2KCNH2MAP3K12KAT2B

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303540-A1 2-AMINOQUINAZOLINES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2023-09-28 US disclosed
US-20230303540-A1 2-AMINOQUINAZOLINES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2023-09-28 US disclosed
EP-3722298-B1 PYRROLO(PYRAZOLO)PYRIMIDINE DERIVATIVE AS LRRK2 INHIBITOR OSCOTEC INC (KR) 2023-08-02 EP disclosed
EP-3722298-B1 PYRROLO(PYRAZOLO)PYRIMIDINE DERIVATIVE AS LRRK2 INHIBITOR OSCOTEC INC (KR) 2023-08-02 EP disclosed
CN-111433208-B Pyrrolo (pyrazolo) pyrimidine derivatives as LRRK2 inhibitors 奥斯考泰克公司 2023-06-30 CN disclosed
US-20230023066-A1 N-(HETEROARYL) QUINAZOLIN-2-AMINE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2023-01-26 US disclosed
US-11370796-B2 Substituted pyrazoles as LRRK2 inhibitors OSCOTEC INC. (KR) 2022-06-28 US disclosed
US-11370796-B2 Substituted pyrazoles as LRRK2 inhibitors OSCOTEC INC. (KR) 2022-06-28 US disclosed
WO-2022051337-A1 2-AMINOQUINAZOLINES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2022-03-10 WO disclosed
US-20210363144-A1 PYRROLO(PYRAZOLO)PYRIMIDINE DERIVATIVE AS LRRK2 INHIBITOR OSCOTEC INC. (KR) 2021-11-25 US disclosed
US-20170015668-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-19 US disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 US disclosed
US-8815882-B2 Pyrazole aminopyrimidine derivatives as LRRK2 modulators GENENTECH, INC. (US) 2014-08-26 US disclosed
US-8815882-B2 Pyrazole aminopyrimidine derivatives as LRRK2 modulators GENENTECH, INC. (US) 2014-08-26 US disclosed
US-8815882-B2 Pyrazole aminopyrimidine derivatives as LRRK2 modulators GENENTECH, INC. (US) 2014-08-26 US disclosed
US-20120157427-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 US disclosed
US-20120157427-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 US disclosed
US-20120157427-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 US disclosed
WO-2012062783-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-05-18 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 (8 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-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK LRRK2 1/4885KCNH2 1965/4885MAP3K12 79/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK LRRK2 1/4885KCNH2 1736/4885MAP3K12 90/4885
US-20210363144-A1 PYRROLO(PYRAZOLO)PYRIMIDINE DERIVATIVE AS LRRK2 INHIBITOR LRRK2, PARK7, WEE1 LRRK2 1/4885KCNH2 3970/4885MAP3K12 691/4885
US-20230023066-A1 N-(HETEROARYL) QUINAZOLIN-2-AMINE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF LRRK2, CLK2, PARK7 LRRK2 1/4885KCNH2 1095/4885MAP3K12 151/4885
US-11370796-B2 Substituted pyrazoles as LRRK2 inhibitors LRRK2, PARK7, PAK3 LRRK2 1/4885KCNH2 2358/4885MAP3K12 205/4885
US-20230303540-A1 2-AMINOQUINAZOLINES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF LRRK2, CLK2, BRSK2 LRRK2 1/4885KCNH2 1343/4885MAP3K12 114/4885
US-20120157427-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS LRRK2, PARK7, PINK1 LRRK2 1/4885KCNH2 1953/4885MAP3K12 305/4885
US-20170015668-A1 COMPOUNDS LRRK2, PARK7, PINK1 LRRK2 1/4885KCNH2 3477/4885MAP3K12 100/4885

“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.