SCHEMBL12190898

SCHEMBL12190898

CC(C)NC(=O)c1cncc(-c2ccc(O)cc2)c1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 5/20 0.77
▸ CASP3 P42574 1/20 0.49
▸ CTSA P10619 3/20 0.47
▸ MKNK1 Q9BUB5 2/20 0.47
▸ MKNK2 Q9HBH9 2/20 0.47
▸ SCN10A Q9Y5Y9 4/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ EIF2S1 P05198 1/20 0.46
▸ EIF2AK3 Q9NZJ5 1/20 0.46
▸ KAT6A Q92794 1/20 0.45
▸ DYRK1A Q13627 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ ROCK2 O75116 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP3A5 P20815 1/20 0.44

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
SCHEMBL27986244 0.87 XDH (1.00) XDHCASP3CTSAMKNK1MKNK2
SCHEMBL12190887 0.84 ROCK2 (0.61) XDHCTSAALDH1A1KAT6AROCK2
SCHEMBL12190909 0.82 XDH (0.54) XDHSCN10AALDH1A1ROCK2
SCHEMBL12190842 0.81 XDH (0.63) XDHCASP3CTSAMKNK1MKNK2
SCHEMBL13932937 0.81 XDH (0.64) XDHCASP3KDM4EALDH1A1HSD17B10
SCHEMBL25002964 0.80 CYP11B2 (0.63) XDHMKNK1MKNK2ALDH1A1CYP3A4
SCHEMBL12190884 0.75 CCNC (0.62) SCN10AKAT6ADYRK1AKCNH2
SCHEMBL14573319 0.75 CHRNA7 (0.70) XDHCTSASCN10AKAT6AKCNH2
SCHEMBL12190998 0.75 XDH (0.59) XDHALDH1A1EIF2S1EIF2AK3CYP3A4
SCHEMBL163588 0.75 MLYCD (0.61) ALDH1A1CYP3A4

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 XDH 278/4885CASP3 2845/4885CTSA 3255/4885

“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.

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