SCHEMBL7450262

SCHEMBL7450262

CNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC)ncc1Br

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 20/20 1.00
▸ JAK2 O60674 1/20 1.00
▸ MAP3K9 P80192 1/20 0.80
▸ MKNK2 Q9HBH9 1/20 0.80
▸ TTK P33981 1/20 0.77

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
SCHEMBL12066134 0.92 LRRK2 (1.00) LRRK2JAK2MAP3K9MKNK2TTK
SCHEMBL14615056 0.91 LRRK2 (1.00) LRRK2JAK2MAP3K9MKNK2
SCHEMBL14642106 0.90 LRRK2 (0.86) LRRK2JAK2MAP3K9MKNK2TTK
SCHEMBL29432560 0.89 LRRK2 (1.00) LRRK2JAK2MAP3K9MKNK2
SCHEMBL7450489 0.89 LRRK2 (1.00) LRRK2JAK2MAP3K9MKNK2TTK
SCHEMBL29567607 0.89 LRRK2 (1.00) LRRK2JAK2MAP3K9MKNK2
SCHEMBL7454021 0.89 LRRK2 (1.00) LRRK2JAK2MAP3K9MKNK2
SCHEMBL7449637 0.89 LRRK2 (0.84) LRRK2JAK2MAP3K9MKNK2TTK
SCHEMBL7450050 0.89 LRRK2 (1.00) LRRK2JAK2
SCHEMBL7450303 0.89 LRRK2 (1.00) LRRK2JAK2MAP3K9MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3075730-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. Hoffmann-La Roche AG (CH) 2016-10-05 — — EP claimed
EP-2576541-B1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS HOFFMANN LA ROCHE (CH) 2016-04-06 — — EP claimed
EP-2576541-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-04-10 — — EP claimed
US-8354420-B2 Aminopyrimidine derivatives as LRRK2 inhibitors GENENTECH, INC. (US) 2013-01-15 — — US claimed
WO-2011151360-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-08 — — WO claimed
EP-3075730-B1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2018-10-24 — — 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
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-3075730-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. Hoffmann-La Roche AG (CH) 2016-10-05 — — EP disclosed
EP-3075730-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. Hoffmann-La Roche AG (CH) 2016-10-05 — — EP disclosed
EP-2576541-B1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS HOFFMANN LA ROCHE (CH) 2016-04-06 — — EP disclosed
EP-2576541-B1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS HOFFMANN LA ROCHE (CH) 2016-04-06 — — EP disclosed
US-8354420-B2 Aminopyrimidine derivatives as LRRK2 inhibitors GENENTECH, INC. (US) 2013-01-15 — — US disclosed
US-8354420-B2 Aminopyrimidine derivatives as LRRK2 inhibitors GENENTECH, INC. (US) 2013-01-15 — — US disclosed
US-8354420-B2 Aminopyrimidine derivatives as LRRK2 inhibitors GENENTECH, INC. (US) 2013-01-15 — — US disclosed
US-20110301141-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 INHIBITORS GENENTECH, INC. (US) 2011-12-08 — — US disclosed
US-20110301141-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 INHIBITORS GENENTECH, INC. (US) 2011-12-08 — — US disclosed
US-20110301141-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 INHIBITORS GENENTECH, INC. (US) 2011-12-08 — — US disclosed
WO-2011151360-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-08 — — WO disclosed
WO-2011151360-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-08 — — 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-20110301141-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 INHIBITORS LRRK2, PARK7, PKN2 LRRK2 1/4885JAK2 499/4885MAP3K9 736/4885

“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.

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