SCHEMBL2207253

SCHEMBL2207253

O=C(c1cc(B(O)O)ccc1F)N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.55
TSHR P16473 1/20 0.55
EPHX2 P34913 3/20 0.52
CNR1 P21554 3/20 0.50
KDM4E B2RXH2 1/20 0.50
ERN1 O75460 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 2/20 0.44
ALDH1A1 P00352 1/20 0.44
PHGDH O43175 1/20 0.44
HSP90AA1 P07900 1/20 0.43
GAA P10253 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
SCHEMBL29954438 1.00 MAPT (0.55) MAPTTSHREPHX2CNR1KDM4E
SCHEMBL951604 0.89 MAPT (0.55) MAPTTSHREPHX2CNR1KDM4E
SCHEMBL29952444 0.87 TSHR (0.55) TSHRCNR1SMN1; SMN2ALDH1A1
SCHEMBL29951371 0.85 TSHR (0.57) TSHRCNR1KDM4EALDH1A1
SCHEMBL20214134 0.83 KDM4E (0.69) MAPTTSHRCNR1KDM4ESMN1; SMN2
SCHEMBL29953598 0.83 KDM4E (0.69) MAPTTSHRCNR1KDM4ESMN1; SMN2
SCHEMBL14602602 0.82 CNR1 (0.62) MAPTTSHREPHX2CNR1KDM4E
SCHEMBL876134 0.80 MAPT (0.58) MAPTTSHREPHX2CNR1KDM4E
SCHEMBL16379735 0.79 MAPT (0.57) MAPTTSHREPHX2CNR1KDM4E
SCHEMBL1438540 0.79 MAPT (0.57) MAPTTSHREPHX2CNR1KDM4E

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-2941425-B1 AMINOPYRIDINE DERIVED COMPOUNDS AS LRRK2 INHIBITORS H LUNDBECK AS (DK) 2017-07-12 EP disclosed
US-9393248-B1 Aminopyridine derived compounds as LRRK2 inhibitors H. LUNDBECK A/S (DK) 2016-07-19 US disclosed
US-20160184317-A1 Aminopyridine Derived Compounds as LRRK2 Inhibitors H. LUNDBECK A/S (DK) 2016-06-30 US disclosed
US-9321748-B2 Aminopyridine derived compounds as LRRK2 inhibitors H. LUNDBECK A/S (DK) 2016-04-26 US disclosed
US-20150336942-A1 Aminopyridine derived compounds as LRRK2 inhibitors VERNALIS (R&D) LTD. (GB) 2015-11-26 US disclosed
EP-2941425-A1 AMINOPYRIDINE DERIVED COMPOUNDS AS LRRK2 INHIBITORS H. Lundbeck A/S (DK) 2015-11-11 EP disclosed
EP-2134685-B1 7-NONSUBSTITUTED INDOLE DERIVATIVES AS MCL-1 INHIBITORS ABBVIE INC (US) 2015-09-02 EP disclosed
US-8853209-B2 1-oxyalkyl-2-carboxy-7-nonsubstituted indole derivatives ABBVIE INC. (US) 2014-10-07 US disclosed
WO-2014106612-A1 AMINOPYRIDINE DERIVED COMPOUNDS AS LRRK2 INHIBITORS H. LUNDBECK A/S (DK) 2014-07-10 WO disclosed
US-20110263599-A1 7-NONSUBSTITUTED INDOLE MCL-1 INHIBITORS ABBOTT LABORATORIES 2011-10-27 US disclosed
US-7981888-B2 1-oxyalkyl-2-carboxyl-7-nonsubstituted indole derivatives ABBOTT LABORATORIES (US) 2011-07-19 US disclosed
US-7820665-B2 Imidazopyridazine inhibitors of PI3 kinase for cancer treatment AMGEN INC. (US) 2010-10-26 US disclosed
EP-2231661-A1 INHIBITORS OF PI3 KINASE Amgen, Inc. (US) 2010-09-29 EP disclosed
WO-2009085230-A1 INHIBITORS OF PI3 KINASE AMGEN INC. (US) 2009-07-09 WO disclosed
US-20090163489-A1 Inhibitors of PI3 kinase AMGEN INC. 2009-06-25 US disclosed
WO-2009066060-A2 4-SUBSTITUTED-6-ISOPROPYL-BENZENE-1,3-DIOL COMPOUNDS AND THEIR USE TOPOTARGET A/S (DK) 2009-05-28 WO disclosed
US-20090124616-A1 7-NONSUBSTITUTED INDOLE MCL-1 INHIBITORS ABBOTT LABORATORIES (US) 2009-05-14 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 (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-20150336942-A1 Aminopyridine derived compounds as LRRK2 inhibitors LRRK2, PARK7, SNCA MAPT 9/4885TSHR 4796/4885EPHX2 4719/4885
US-20090124616-A1 7-NONSUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, API5 MAPT 3064/4885TSHR 4559/4885EPHX2 4726/4885
US-20160184317-A1 Aminopyridine Derived Compounds as LRRK2 Inhibitors LRRK2, PARK7, SNCA MAPT 9/4885TSHR 4797/4885EPHX2 4729/4885
US-20110263599-A1 7-NONSUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, API5 MAPT 3064/4885TSHR 4559/4885EPHX2 4726/4885
US-20090163489-A1 Inhibitors of PI3 kinase PIK3CA, PIK3CD, PIK3CG MAPT 2079/4885TSHR 3569/4885EPHX2 4402/4885

“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.