SCHEMBL951604

SCHEMBL951604

O=C(c1ccc(B(O)O)cc1F)N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.55
TSHR P16473 1/20 0.55
EPHX2 P34913 3/20 0.54
CNR1 P21554 3/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CPS1 P31327 2/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 2/20 0.44
ALDH1A1 P00352 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 0.89 MAPT (0.55) MAPTTSHREPHX2CNR1KDM4E
SCHEMBL2207253 0.89 MAPT (0.55) MAPTTSHREPHX2CNR1KDM4E
SCHEMBL2516616 0.87 CPS1 (0.54) TSHRCNR1MEN1KMT2ACPS1
SCHEMBL29951438 0.85 CPS1 (0.52) TSHRCNR1MEN1KMT2ACPS1
SCHEMBL876134 0.83 MAPT (0.58) MAPTTSHREPHX2CNR1KMT2A
SCHEMBL9886019 0.82 CPS1 (0.46) TSHREPHX2MEN1KMT2ACPS1
SCHEMBL20214134 0.80 KDM4E (0.69) MAPTTSHRCNR1KMT2AKDM4E
SCHEMBL29953598 0.80 KDM4E (0.69) MAPTTSHRCNR1KMT2AKDM4E
SCHEMBL4745686 0.79 MAPT (0.57) MAPTTSHREPHX2CNR1MEN1
SCHEMBL29897652 0.79 MAPT (0.57) MAPTTSHREPHX2CNR1MEN1

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 37 patents — showing the first 20. 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
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-9393248-B1 Aminopyridine derived compounds as LRRK2 inhibitors H. LUNDBECK A/S (DK) 2016-07-19 US 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-20160184317-A1 Aminopyridine Derived Compounds as LRRK2 Inhibitors H. LUNDBECK A/S (DK) 2016-06-30 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-9321748-B2 Aminopyridine derived compounds as LRRK2 inhibitors H. LUNDBECK A/S (DK) 2016-04-26 US disclosed
US-20110002952-A1 FUSED HETEROARYL MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kappaB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2011-01-06 US disclosed
EP-2247597-A1 FUSED HETEROARYL MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF Bristol-Myers Squibb Company (US) 2010-11-10 EP disclosed
US-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors NOVARTIS AG 2010-07-01 US disclosed
US-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors NOVARTIS AG 2010-07-01 US disclosed
WO-2009100171-A1 FUSED HETEROARYL MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-13 WO disclosed
WO-2009100171-A1 FUSED HETEROARYL MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-13 WO disclosed
US-20090075995-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2009-03-19 US disclosed
US-20090075995-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2009-03-19 US disclosed
WO-2008148867-A2 QUINOXALINE DERIVATIVES AS INHIBITORS OF THE TYROSINE KINASE ACTIVITY OF JANUS KINASES NOVARTIS AG (CH) 2008-12-11 WO disclosed
WO-2008021926-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AND/OR AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 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 (4 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-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors JAK2, JAK1, JAK3 MAPT 4677/4885TSHR 902/4885EPHX2 2772/4885
US-20090075995-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFKB2, NFRKB, NFKB1 MAPT 3237/4885TSHR 1142/4885EPHX2 2687/4885
US-20110002952-A1 FUSED HETEROARYL MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kappaB ACTIVITY AND USE THEREOF NFKB2, NFKBIA, AP1G1 MAPT 3515/4885TSHR 1120/4885EPHX2 1300/4885
US-20160184317-A1 Aminopyridine Derived Compounds as LRRK2 Inhibitors LRRK2, PARK7, SNCA MAPT 9/4885TSHR 4797/4885EPHX2 4729/4885

“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.