SCHEMBL12190862

SCHEMBL12190862

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.54
ABL1 P00519 1/20 0.51
OPRM1 P35372 1/20 0.51
KCNH2 Q12809 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
CDK4 P11802 1/20 0.50
CCND1 P24385 1/20 0.50
MKNK1 Q9BUB5 2/20 0.49
MKNK2 Q9HBH9 2/20 0.49
KMO O15229 1/20 0.49
SCN2A Q99250 2/20 0.48
SCN10A Q9Y5Y9 2/20 0.48
EPHX2 P34913 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 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
SCHEMBL14082487 0.86 MKNK1 (0.64) THRBNPC1RAB9AMKNK1MKNK2
SCHEMBL13702258 0.84 GAA (0.52) THRBABL1OPRM1KCNH2MKNK1
SCHEMBL62572 0.84 THRB (0.75) THRBMEN1KMT2ANPC1RAB9A
SCHEMBL30664046 0.84 THRB (0.75) THRBMEN1KMT2ANPC1RAB9A
SCHEMBL13063084 0.82 KMT2A (0.54) MEN1KMT2ARAB9AEPHX2PTAFR
SCHEMBL12530145 0.82 KMT2A (0.48) THRBABL1OPRM1KCNH2MEN1
SCHEMBL12190863 0.82 SCN2A (0.62) KMT2ANPC1RAB9ASMN1; SMN2SCN2A
Bromide SCHEMBL5671430 0.82 THRB (0.73) THRBMEN1KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL7321595 0.82 THRB (0.73) THRBMEN1KMT2ANPC1RAB9A
SCHEMBL10137206 0.80 KMT2A (0.50) MEN1KMT2ANPC1RAB9ASMN1; 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 THRB 1589/4885ABL1 246/4885OPRM1 4290/4885

“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.