SCHEMBL2496476

SCHEMBL2496476

O=C(O)c1cncc(-c2ccc3c(c2)OCO3)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
MAPK1 P28482 1/20 0.57
MKNK1 Q9BUB5 1/20 0.54
MKNK2 Q9HBH9 1/20 0.54
CTSA P10619 1/20 0.53
SRD5A2 P31213 1/20 0.51
CHEK2 O96017 1/20 0.50
TP53 P04637 1/20 0.49
DHODH Q02127 1/20 0.49
KDM4E B2RXH2 2/20 0.47
GABRA1 P14867 2/20 0.47
GABRB2 P47870 2/20 0.47
CTNNB1 P35222 1/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47
ADORA3 P0DMS8 4/20 0.46
KMT2A Q03164 3/20 0.46
ADORA1 P30542 3/20 0.46
MEN1 O00255 2/20 0.46
POLB P06746 2/20 0.46

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
SCHEMBL2496100 0.87 CTSA (0.50) ALDH1A1MAPK1CTSACHEK2TP53
SCHEMBL12190965 0.82 RAB9A (0.64) ALDH1A1CTSATP53KDM4EPKM
SCHEMBL2945422 0.81 ALDH1A1 (0.73) ALDH1A1MAPK1SRD5A2CHEK2GABRA1
SCHEMBL2501789 0.80 CTSA (0.48) ALDH1A1MAPK1CTSACHEK2TP53
SCHEMBL12190962 0.79 FYN (0.56) ALDH1A1MAPK1CTSACHEK2TP53
SCHEMBL12190973 0.78 NPC1 (0.68) CTSAKDM4EPKMHPGDKMT2A
SCHEMBL12190957 0.78 CTSA (0.65) ALDH1A1MAPK1CTSAKDM4EGABRA1
SCHEMBL12190958 0.78 CTSA (0.65) ALDH1A1MAPK1CTSAKDM4EGABRA1
SCHEMBL3181717 0.77 MKNK1 (0.69) ALDH1A1MKNK1MKNK2KDM4EKMT2A
SCHEMBL12190981 0.76 CTSA (0.63) ALDH1A1CTSATP53KDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569907-B1 NICOTINAMIDE-BASED KINASE INHIBITORS YM BIOSCIENCES AUSTRALIA PTY (AU) 2016-03-09 EP disclosed
US-8030336-B2 Nicotinamide-based kinase inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2011-10-04 US disclosed
EP-1569907-A4 NICOTINAMIDE-BASED KINASE INHIBITORS CYTOPIA PTY LTD (AU) 2007-10-31 EP disclosed
US-20070060619-A1 Nicotinamide-based kinase inhibitors CYTOPIA PTY LTD (AU) 2007-03-15 US disclosed
EP-1569907-A1 NICOTINAMIDE-BASED KINASE INHIBITORS Cytopia PTY Ltd (AU) 2005-09-07 EP disclosed
WO-2004054977-A1 NICOTINAMIDE-BASED KINASE INHIBITORS CYTOPIA PTY LTD (AU) 2004-07-01 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 (1 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-20070060619-A1 Nicotinamide-based kinase inhibitors NADK, NAMPT, PDXK ALDH1A1 1092/4885MAPK1 48/4885MKNK1 228/4885

“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.