SCHEMBL871066

SCHEMBL871066

CC(=O)c1ccc(-c2cncc(C(=O)N=[S@@](C)(=O)C3C=CC=CC3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.45
MKNK1 Q9BUB5 5/20 0.44
MKNK2 Q9HBH9 5/20 0.44
CYP11B1 P15538 3/20 0.35
CYP11B2 P19099 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
SGK1 O00141 1/20 0.31
MAP4K4 O95819 2/20 0.31
PIP4K2A P48426 2/20 0.30
PIP4K2B P78356 2/20 0.30
KAT6A Q92794 1/20 0.30
CHEK1 O14757 1/20 0.30
HSD17B1 P14061 1/20 0.30

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
SCHEMBL870934 0.92 XDH (0.45) XDHMKNK1MKNK2MAP4K4KAT6A
SCHEMBL11985268 0.91 MKNK1 (0.34) XDHMKNK1MKNK2MAP4K4PIP4K2A
SCHEMBL871880 0.90 SCN10A (0.40) XDHMKNK1MKNK2CCNCCDK8
SCHEMBL11985204 0.90 SCN10A (0.40) XDHMKNK1MKNK2CCNCCDK8
SCHEMBL11985203 0.90 KAT6A (0.40) XDHMKNK1MKNK2CYP11B1CYP11B2
SCHEMBL871636 0.90 KAT6A (0.40) XDHMKNK1MKNK2CYP11B1CYP11B2
SCHEMBL869138 0.85 XDH (0.35) XDHMKNK1MKNK2HSD17B1
SCHEMBL10182185 0.84 KMO (0.41) XDHMKNK1MKNK2MAP4K4KAT6A
SCHEMBL10182211 0.84 SCN10A (0.47) CCNCCDK8
SCHEMBL869367 0.84 XDH (0.49) XDHMKNK1MKNK2

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
US-8383825-B2 Kinase inhibitors ALLERGAN, INC. (US) 2013-02-26 US disclosed
US-20120207810-A1 Kinase Inhibitors SPADA LON T (US) 2012-08-16 US disclosed
US-8143410-B2 Kinase inhibitors ALLERGAN, INC. (US) 2012-03-27 US disclosed
US-20110263611-A1 Kinase Inhibitors ALLERGAN, INC. 2011-10-27 US disclosed
US-20090196906-A1 Kinase inhibitors ALLERGAN, INC. 2009-08-06 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 (3 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-20110263611-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 XDH 2732/4885MKNK1 40/4885MKNK2 49/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 XDH 2732/4885MKNK1 40/4885MKNK2 49/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 XDH 2732/4885MKNK1 40/4885MKNK2 49/4885

“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.