SCHEMBL3545080

SCHEMBL3545080

CC(C)(C)OC(=O)c1cc(Cl)c(N)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
SLC9A1 P19634 1/20 0.37
HTR4 Q13639 4/20 0.36
ADORA2B P29275 1/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
HTR3A P46098 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NR3C2 P08235 1/20 0.36
STAT3 P40763 1/20 0.34
ABL1 P00519 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
SCHEMBL356934 0.85 CFTR (0.34) CA12CA1CA2CA9HTR4
SCHEMBL366207 0.85 POLB (0.39) GAACA12CA1CA2CA9
SCHEMBL15036577 0.83 POLB (0.37) CA12CA1CA2CA9POLB
SCHEMBL15543791 0.80 POLB (0.45) GAACA12CA1CA2CA9
SCHEMBL17244937 0.80 SCN9A (0.36) GAACA12CA1CA2CA9
SCHEMBL15938752 0.79 GRM6 (0.34) CA12CA1CA2CA9CYP3A4
SCHEMBL15544550 0.79 SCN9A (0.36) CA12CA1CA2CA9POLB
SCHEMBL10198378 0.79 POLB (0.46) GAACA12CA1CA2CA9
SCHEMBL364791 0.78 POLB (0.40) GAACA12CA1CA2CA9
SCHEMBL15036521 0.78 SCN9A (0.38) CA12CA1CA2CA9POLB

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2785699-B1 2-PHENYLAMINOPYRIMIDINE DERIVATIVES AS KINASE LRRK2 MODULATORS FOR THE TREATMENT OF PARKINSON'S DISEASE GENENTECH INC (US) 2017-09-06 EP disclosed
EP-2785699-B1 2-PHENYLAMINOPYRIMIDINE DERIVATIVES AS KINASE LRRK2 MODULATORS FOR THE TREATMENT OF PARKINSON'S DISEASE GENENTECH INC (US) 2017-09-06 EP disclosed
CN-103987698-B 2-phenylaminopyrimidine derivatives as kinase LRRK2 modulators for the treatment of Parkinson's disease HOFFMAN-LA ROCHE LTD. (CH) 2016-04-20 CN disclosed
US-8809331-B2 Aminopyrimidine derivatives as LRRK2 modulators GENENTECH, INC. (US) 2014-08-19 US disclosed
US-8809331-B2 Aminopyrimidine derivatives as LRRK2 modulators GENENTECH, INC. (US) 2014-08-19 US disclosed
US-8809331-B2 Aminopyrimidine derivatives as LRRK2 modulators GENENTECH, INC. (US) 2014-08-19 US disclosed
CN-103987698-A 2-Phenylaminopyrimidine derivatives as kinase LRRK2 modulators for the treatment of Parkinson's disease HOFFMANN LA ROCHE 2014-08-13 CN disclosed
US-20130157999-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH, INC. (US) 2013-06-20 US disclosed
US-20130157999-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH, INC. (US) 2013-06-20 US disclosed
US-20130157999-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH, INC. (US) 2013-06-20 US disclosed
WO-2013079494-A1 2-PHENYLAMINOPYRIMIDINE DERIVATIVES AS KINASE LRRK2 MODULATORS FOR THE TREATMENT OF PARKINSON'S DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2013-06-06 WO disclosed
US-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
EP-2046793-A2 FUSED PYRIMIDO COMPOUNDS AstraZeneca AB (SE) 2009-04-15 EP disclosed
WO-2008040951-A1 COMPOUNDS ASTRAZENECA AB (SE) 2008-04-10 WO disclosed
WO-2008040951-A1 COMPOUNDS ASTRAZENECA AB (SE) 2008-04-10 WO disclosed
WO-2008003958-A2 FUSED PYRIMIDO COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 WO disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 US 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 (2 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-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 GAA 159/4885CA12 2391/4885CA1 4191/4885
US-20130157999-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS LRRK2, PARK7, P2RX6 GAA 1866/4885CA12 4883/4885CA1 4875/4885

“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.