SCHEMBL7459022

SCHEMBL7459022

Nc1ccc(C(=O)N2CCOCC2)cc1OCCF

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 1/20 0.52
▸ HSD17B10 Q99714 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ GLA P06280 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ HTR4 Q13639 1/20 0.47
▸ HPGD P15428 4/20 0.46
▸ PHGDH O43175 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HSP90AA1 P07900 2/20 0.43
▸ HSP90AB1 P08238 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43

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
SCHEMBL15650909 0.85 HSD17B10 (0.65) LRRK2HSD17B10KMT2AGLAHPGD
SCHEMBL17076704 0.84 KMT2A (0.50) LRRK2HSD17B10KMT2AGLAPKM
SCHEMBL17076666 0.82 LRRK2 (0.51) LRRK2HSD17B10KMT2AGLAPKM
SCHEMBL15651424 0.81 RAB9A (0.46) LRRK2KMT2AGLAPKMHPGD
SCHEMBL29492972 0.81 KMT2A (0.67) LRRK2KMT2AGLAPKMHPGD
SCHEMBL1912012 0.81 KMT2A (0.67) LRRK2KMT2AGLAPKMHPGD
SCHEMBL17076784 0.80 LRRK2 (0.53) LRRK2HSD17B10KMT2AGLAPKM
SCHEMBL17076840 0.80 EPHX2 (0.54) LRRK2KMT2AGLAPKMHPGD
SCHEMBL17076877 0.80 LRRK2 (0.51) LRRK2HSD17B10KMT2AGLAPKM
SCHEMBL17076751 0.80 MAPT (0.47) LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 — — US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 — — US disclosed
EP-3075730-B1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2018-10-24 — — EP disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 — — US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 — — US 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-2785381-B1 FLUORINE-18 AND CARBON-11 LABELED RADIOLIGANDS FOR POSITRON EMISSION TOMOGRAPHY (PET) IMAGING FOR LRRK2 HOFFMANN LA ROCHE (CH) 2016-05-18 — — 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-20130096102-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH, INC. (US) 2013-04-18 — — US disclosed
EP-2576541-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-04-10 — — 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 (5 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-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK LRRK2 1/4885HSD17B10 4360/4885KMT2A 921/4885
US-20130096102-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS LRRK2, PARK7, P2RX6 LRRK2 1/4885HSD17B10 4665/4885KMT2A 1616/4885
US-20110301141-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 INHIBITORS LRRK2, PARK7, PKN2 LRRK2 1/4885HSD17B10 4639/4885KMT2A 1571/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK LRRK2 1/4885HSD17B10 4376/4885KMT2A 929/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK LRRK2 1/4885HSD17B10 4376/4885KMT2A 929/4885

“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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