Isaxonine

Isaxonine

SCHEMBL2846192

CC(C)Nc1ncccn1.NC(=O)O

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HDAC3 O15379 3/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
IDO1 P14902 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HCAR3 P49019 1/20 0.40
PKM P14618 1/20 0.39
KCNH3 Q9ULD8 1/20 0.39
KDM4E B2RXH2 1/20 0.39
FFAR2 O15552 1/20 0.38

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
Isaxonine SCHEMBL1270289 0.85 KCNH3 (0.43) MAPK1ALDH1A1KMT2AMEN1HTT
Isaxonine SCHEMBL9030532 0.85 PKM (0.40) MAPK1ALDH1A1KMT2AMEN1NPC1
Isaxonine SCHEMBL4537710 0.82 FDPS (0.42) MAPK1KMT2AMEN1NPC1RAB9A
Carbamic Acid SCHEMBL2847023 0.79 ABL1 (0.48) MAPK1ALDH1A1HCAR3KDM4E
SCHEMBL1225937 0.78 MEN1 (0.42) MAPK1ALDH1A1KMT2AMEN1NPC1
SCHEMBL1225938 0.78 MEN1 (0.42) MAPK1ALDH1A1KMT2AMEN1NPC1
SCHEMBL8683599 0.74 MAPK1 (0.52) MAPK1ALDH1A1HDAC3HDAC1HDAC2
SCHEMBL26319653 0.74 FFAR2 (0.41) MAPK1ALDH1A1KMT2AMEN1NPC1
SCHEMBL19243702 0.74 ALDH1A1 (0.45) MAPK1ALDH1A1KMT2AMEN1NPC1
SCHEMBL13127917 0.73 HTT (0.46) MAPK1ALDH1A1KMT2AMEN1NPC1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8269009-B2 Methods and compositions for treating liquid tumors ELAN PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-7820687-B2 Pyrimidinyl sulfonamide compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2010-10-26 US disclosed
EP-2231185-A1 METHODS AND COMPOSITIONS FOR TREATING LIQUID TUMORS Elan Pharmaceuticals Inc. (US) 2010-09-29 EP disclosed
US-20100016345-A1 PYRIMIDINYL SULFONAMIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. 2010-01-21 US disclosed
US-20090312353-A1 Methods and compositions for treating liquid tumors ELAN PHARMACEUTICALS, INC. 2009-12-17 US disclosed
US-7579466-B2 Pyrimidinyl sulfonamide compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2009-08-25 US disclosed
WO-2009075806-A1 METHODS AND COMPOSITIONS FOR TREATING LIQUID TUMORS ELAN PHARMACEUTICALS, INC. (US) 2009-06-18 WO disclosed
EP-1996559-A1 PYRIMIDINYL SULFONAMIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals Inc. (US) 2008-12-03 EP disclosed
US-20080058357-A1 PYRIMIDINYL SULFONAMIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. 2008-03-06 US disclosed
WO-2007101165-A1 PYRIMIDINYL SULFONAMIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2007-09-07 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-20100016345-A1 PYRIMIDINYL SULFONAMIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 VCAM1, ICAM1, CD4 MAPK1 2459/4885ALDH1A1 443/4885KMT2A 975/4885
US-20090312353-A1 Methods and compositions for treating liquid tumors ITGB4, ITGA4, ITGB3 MAPK1 3793/4885ALDH1A1 1095/4885KMT2A 2607/4885
US-20080058357-A1 PYRIMIDINYL SULFONAMIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 VCAM1, ICAM1, CD4 MAPK1 2459/4885ALDH1A1 443/4885KMT2A 975/4885

“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.