SCHEMBL871880

SCHEMBL871880

CS(=O)(=NC(=O)c1cncc(-c2ccc(Cl)cc2)c1)C1C=CC=CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 8/20 0.40
MAP4K4 O95819 2/20 0.39
SCN2A Q99250 7/20 0.38
BRD4 O60885 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
MKNK1 Q9BUB5 2/20 0.34
MKNK2 Q9HBH9 2/20 0.34
XDH P47989 2/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
PDGFRB P09619 1/20 0.33
EIF2AK2 P19525 1/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL11985204 1.00 SCN10A (0.40) SCN10AMAP4K4SCN2ABRD4CCNC
SCHEMBL11985268 0.91 MKNK1 (0.34) SCN10AMAP4K4MKNK1MKNK2XDH
SCHEMBL870934 0.90 XDH (0.45) MAP4K4MKNK1MKNK2XDH
SCHEMBL871636 0.90 KAT6A (0.40) SCN10ASCN2ABRD4CCNCCDK8
SCHEMBL11985203 0.90 KAT6A (0.40) SCN10ASCN2ABRD4CCNCCDK8
SCHEMBL869138 0.85 XDH (0.35) MKNK1MKNK2XDH
SCHEMBL10182185 0.84 KMO (0.41) MAP4K4MKNK1MKNK2XDH
SCHEMBL869367 0.84 XDH (0.49) MKNK1MKNK2XDH
SCHEMBL10182211 0.82 SCN10A (0.47) SCN10ACCNCCDK8
SCHEMBL868338 0.82

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-8383825-B2 Kinase inhibitors ALLERGAN, INC. (US) 2013-02-26 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 (2 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 SCN10A 4600/4885MAP4K4 62/4885SCN2A 4482/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 SCN10A 4600/4885MAP4K4 62/4885SCN2A 4482/4885

“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.