SCHEMBL5021085

SCHEMBL5021085

Cc1nn(CC(C)(C)O)cc1N

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.38
FFAR1 O14842 2/20 0.36
PIK3CA P42336 2/20 0.34
ADORA2A P29274 12/20 0.33
ADORA2B P29275 9/20 0.33
ADORA1 P30542 2/20 0.33
ADORA3 P0DMS8 2/20 0.33
RECQL P46063 1/20 0.31

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
SCHEMBL16940700 0.81 LRRK2 (0.39) LRRK2FFAR1ADORA2AADORA2B
SCHEMBL17076698 0.80 FFAR1 (0.36) LRRK2FFAR1ADORA2AADORA1ADORA3
SCHEMBL15651075 0.80 ADORA2A (0.42) LRRK2FFAR1ADORA2AADORA1ADORA3
SCHEMBL5021084 0.79 CSF1R (0.34) LRRK2ADORA2AADORA1RECQL
SCHEMBL15651371 0.79 FFAR1 (0.35) FFAR1ADORA2AADORA1ADORA3
SCHEMBL26643768 0.79 FFAR1 (0.35) FFAR1ADORA2AADORA2BADORA1ADORA3
SCHEMBL17397323 0.78 LRRK2 (0.38) LRRK2FFAR1PIK3CA
SCHEMBL22061127 0.78 FFAR1 (0.40) LRRK2FFAR1
SCHEMBL1358932 0.78 LRRK2 (0.38) LRRK2FFAR1
SCHEMBL17109858 0.78 LRRK2 (0.40) LRRK2FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11512087-B2 BRK inhibitory compound ONO PHARMACEUTICAL CO., LTD. (JP) 2022-11-29 US disclosed
US-20220220117-A1 9-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2022-07-14 US disclosed
US-20220220117-A1 9-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2022-07-14 US disclosed
EP-3312182-B9 BRK INHIBITORY COMPOUND ONO PHARMACEUTICAL CO (JP) 2022-06-29 EP disclosed
US-11312719-B2 9-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use MERCK SHARP & DOHME CORP. (US) 2022-04-26 US disclosed
US-11312719-B2 9-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use MERCK SHARP & DOHME CORP. (US) 2022-04-26 US disclosed
US-20220119371-A1 COMPOUND, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2022-04-21 US disclosed
EP-3312182-B1 BRK INHIBITORY COMPOUND ONO PHARMACEUTICAL CO (JP) 2022-02-23 EP disclosed
US-11214565-B2 Compound, compositions, and methods DENALI THERAPEUTICS INC. (US) 2022-01-04 US disclosed
US-20210107904-A1 9-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2021-04-15 US disclosed
WO-2015113452-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-08-06 WO 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
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
WO-2014060113-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO 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 (7 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-20220220117-A1 9-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE ADORA2A, ADORA2B, ADORA3 LRRK2 1024/4885FFAR1 193/4885PIK3CA 905/4885
US-11512087-B2 BRK inhibitory compound BRI3BP, BLK, BRSK2 LRRK2 1018/4885FFAR1 4590/4885PIK3CA 1880/4885
US-20220119371-A1 COMPOUND, COMPOSITIONS, AND METHODS LRRK2, PARK7, SNCA LRRK2 1/4885FFAR1 3953/4885PIK3CA 103/4885
US-11214565-B2 Compound, compositions, and methods LRRK2, PARK7, MAPT LRRK2 1/4885FFAR1 3891/4885PIK3CA 105/4885
US-11312719-B2 9-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use ADORA2A, ADORA2B, ADORA3 LRRK2 1024/4885FFAR1 193/4885PIK3CA 905/4885
US-20210107904-A1 9-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE ADORA2A, ADORA2B, ADORA3 LRRK2 1024/4885FFAR1 193/4885PIK3CA 905/4885
US-20120157427-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS LRRK2, PARK7, PINK1 LRRK2 1/4885FFAR1 1328/4885PIK3CA 1671/4885

“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.