SCHEMBL578532

SCHEMBL578532

CC1(C)OB(c2ccc(CC(=O)N3CCOCC3)cc2)OC1(C)C

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.56
KMT2A Q03164 1/20 0.52
HTT P42858 1/20 0.51
ROCK1 Q13464 1/20 0.46
LPL P06858 1/20 0.46
LIPG Q9Y5X9 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
F11 P03951 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
FKBP1A P62942 3/20 0.43
ALDH1A1 P00352 2/20 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
SCHEMBL2800935 0.87 MAPT (0.56) MAPTKMT2AROCK1LPLLIPG
SCHEMBL17619412 0.85 HSD11B1 (0.59) MAPTKMT2AHTTROCK1LPL
SCHEMBL2801560 0.85 ROCK1 (0.44) MAPTKMT2AROCK1LPLLIPG
SCHEMBL2801562 0.85 ROCK1 (0.44) MAPTKMT2AROCK1LPLLIPG
SCHEMBL9888311 0.83 MAPT (0.49) MAPTKMT2AHTTL3MBTL1HDAC4
SCHEMBL5907498 0.81 FKBP1A (0.64) MAPTKMT2AHTTL3MBTL1SMN1; SMN2
SCHEMBL2800316 0.81 ROCK1 (0.71) MAPTKMT2AHTTROCK1HDAC6
SCHEMBL15879483 0.81 ROCK1 (0.68) ROCK1LPLLIPGF11
SCHEMBL22233270 0.80 ALDH1A1 (0.47) KMT2AHTTROCK1LPLLIPG
SCHEMBL951497 0.80 PHGDH (0.55) MAPTKMT2AHTTL3MBTL1SMN1; SMN2

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 38 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-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 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-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-8193189-B2 Quinoxaline derivatives as tyrosine kinase activity inhibitors NOVARTIS AG (CH) 2012-06-05 US disclosed
US-20120040936-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-16 US disclosed
US-20120040936-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-16 US disclosed
US-20120040936-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-16 US disclosed
EP-2418203-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP Daiichi Sankyo Company, Limited (JP) 2012-02-15 EP disclosed
EP-2418203-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP Daiichi Sankyo Company, Limited (JP) 2012-02-15 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
US-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors NOVARTIS AG 2010-07-01 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20120040936-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP BMP2, BMP4, BMP6 MAPT 4571/4885KMT2A 2350/4885HTT 4631/4885
US-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors JAK2, JAK1, JAK3 MAPT 4677/4885KMT2A 813/4885HTT 2457/4885
US-20160184317-A1 Aminopyridine Derived Compounds as LRRK2 Inhibitors LRRK2, PARK7, SNCA MAPT 9/4885KMT2A 313/4885HTT 167/4885

“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.