SCHEMBL871125

SCHEMBL871125

Cc1ncc(-c2cncc(C(=O)N=[S@@](C)(=O)C3C=CC=CC3)c2)[nH]1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.33
CYP2A6 P11509 1/20 0.32
DYRK1A Q13627 1/20 0.31

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
SCHEMBL868338 0.85
SCHEMBL869820 0.82 KDM4E (0.33)
SCHEMBL871636 0.81 KAT6A (0.40) GSK3B
SCHEMBL11985203 0.81 KAT6A (0.40) GSK3B
SCHEMBL11985268 0.80 MKNK1 (0.34) DYRK1A
SCHEMBL11985204 0.79 SCN10A (0.40)
SCHEMBL870934 0.79 XDH (0.45)
SCHEMBL871880 0.79 SCN10A (0.40)
SCHEMBL869138 0.79 XDH (0.35)
SCHEMBL870007 0.78 CSNK2A1 (0.34)

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 GSK3B 491/4885CYP2A6 3269/4885DYRK1A 314/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 GSK3B 491/4885CYP2A6 3269/4885DYRK1A 314/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 GSK3B 491/4885CYP2A6 3269/4885DYRK1A 314/4885

“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.