SCHEMBL12190856

SCHEMBL12190856

CN(Cc1ccccc1)C(=O)c1cncc(-c2cccs2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
LIMK2 P53671 1/20 0.47
HSD17B2 P37059 4/20 0.45
HSD17B1 P14061 3/20 0.45
HDAC4 P56524 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC3 O15379 1/20 0.43
HPGD P15428 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
NAMPT P43490 1/20 0.43
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL12190904 0.80 HSD17B1 (0.59) MEN1KMT2AHSD17B2HSD17B1HDAC4
SCHEMBL12191077 0.79 KMT2A (0.56) MEN1KMT2ALIMK2HSD17B2HSD17B1
SCHEMBL569420 0.77 CYP2E1 (0.50) MEN1KMT2AHDAC3ALDH1A1LMNA
SCHEMBL13692396 0.76 MKNK1 (0.51) MEN1KMT2AHDAC3ALDH1A1GAA
SCHEMBL12191001 0.74 RAB9A (0.56) MEN1KMT2AHDAC4HDAC6HDAC3
SCHEMBL16597337 0.74 KMT2A (0.59) MEN1KMT2ALIMK2HSD17B2HSD17B1
SCHEMBL25171070 0.73 CYP2E1 (0.49) MEN1KMT2AHDAC3RAB9A
SCHEMBL2932508 0.73 CHEK2 (0.58) HDAC3
SCHEMBL31016008 0.73 CYP2E1 (0.49) MEN1KMT2AHDAC3RAB9A
SCHEMBL30314856 0.73 CHEK2 (0.58) HDAC3

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 5 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
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 MEN1 1147/4885KMT2A 1738/4885LIMK2 559/4885

“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.