SCHEMBL12190863

SCHEMBL12190863

O=C(NCc1cccnc1)c1cncc(-c2cccnc2)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 1/20 0.62
SCN10A Q9Y5Y9 1/20 0.62
HTT P42858 3/20 0.59
ALDH1A1 P00352 3/20 0.59
LMNA P02545 2/20 0.59
MAPT P10636 1/20 0.59
TSHR P16473 2/20 0.58
MMP13 P45452 1/20 0.58
KMT2A Q03164 2/20 0.57
NPC1 O15118 1/20 0.57
GAA P10253 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57
USP2 O75604 1/20 0.57
CA2 P00918 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MAPK1 P28482 1/20 0.55
NAMPT P43490 1/20 0.55
CYP1A2 P05177 1/20 0.55

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
SCHEMBL12191135 0.87 L3MBTL1 (0.58) SCN2ASCN10AHTTMAPTTSHR
SCHEMBL12191106 0.86 GAA (0.65) ALDH1A1TSHRKMT2AGAAL3MBTL1
SCHEMBL14082585 0.86 ALDH1A1 (0.69) HTTALDH1A1LMNAMAPTTSHR
SCHEMBL12191046 0.84 HDAC1 (0.71) SCN2ASCN10AHTTALDH1A1LMNA
SCHEMBL7082686 0.84 TSHR (0.73) HTTALDH1A1LMNAMAPTTSHR
SCHEMBL13702258 0.83 GAA (0.52) SCN2ASCN10AGAA
SCHEMBL1928843 0.83 SMN1; SMN2 (0.65) HTTALDH1A1LMNAKMT2ANPC1
SCHEMBL12190862 0.82 THRB (0.54) SCN2ASCN10AALDH1A1MAPTKMT2A
SCHEMBL12191093 0.81 MAPK1 (0.60) ALDH1A1LMNAMAPTTSHRKMT2A
SCHEMBL2984197 0.81 NAMPT (0.72) HTTALDH1A1LMNAMAPTMMP13

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 1066/4885HTT 2166/4885

“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.