SCHEMBL12190895

SCHEMBL12190895

O=C(NCc1cccc(F)c1)c1cncc(-c2ccc(O)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 3/20 0.61
SCN10A Q9Y5Y9 3/20 0.61
ROCK2 O75116 5/20 0.54
ROCK1 Q13464 1/20 0.54
HDAC1 Q13547 4/20 0.53
KDM1A O60341 3/20 0.53
MAOB P27338 1/20 0.53
AURKA O14965 1/20 0.52
SRC P12931 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL254400 0.86 ROCK2 (0.62) ROCK2ROCK1MAOBSRC
SCHEMBL12190845 0.82 HPGD (0.64) SCN2ASCN10AROCK2AURKA
SCHEMBL12191062 0.81 HDAC1 (0.67) SCN2ASCN10AHDAC1KDM1ASMN1; SMN2
SCHEMBL12190997 0.81 RAB9A (0.51) SCN2ASCN10AROCK2ROCK1HDAC1
SCHEMBL12190882 0.80 SCN2A (0.62) SCN2ASCN10AHDAC1KDM1AMAOB
SCHEMBL14082551 0.80 ROCK2 (0.59) ROCK2ROCK1AURKASRC
SCHEMBL12190893 0.80 HDAC1 (0.78) SCN2ASCN10AHDAC1KDM1AMAOB
SCHEMBL12191068 0.78 L3MBTL1 (0.64) SCN2ASCN10AROCK2ROCK1HDAC1
SCHEMBL13876853 0.78 SCN2A (0.53) SCN2ASCN10AHDAC1KDM1AAURKA
SCHEMBL254175 0.77 SRC (0.69) ROCK2ROCK1HDAC1SRCSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030336-B2 Nicotinamide-based kinase inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2011-10-04 US disclosed
US-8030336-B2 Nicotinamide-based kinase inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2011-10-04 US disclosed
US-20070060619-A1 Nicotinamide-based kinase inhibitors CYTOPIA PTY LTD (AU) 2007-03-15 US disclosed
US-20070060619-A1 Nicotinamide-based kinase inhibitors CYTOPIA PTY LTD (AU) 2007-03-15 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 (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 SCN2A 1134/4885SCN10A 1066/4885ROCK2 1803/4885

“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.