SCHEMBL959116

SCHEMBL959116

Cc1cc(Nc2n[nH]c3ccc(F)cc23)nc(-c2ccccc2C(F)(F)F)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.57
GSK3B P49841 2/20 0.57
MAPT P10636 6/20 0.44
KDM4E B2RXH2 5/20 0.44
MAPK1 P28482 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
USP1 O94782 2/20 0.44
WDR48 Q8TAF3 2/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
HSD17B10 Q99714 3/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 2/20 0.43
TSHR P16473 2/20 0.43
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
ALOX15 P16050 1/20 0.43
ATM Q13315 1/20 0.43
FADS1 O60427 2/20 0.43
CYP1A2 P05177 5/20 0.42

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
SCHEMBL786723 0.90 CYP1A2 (0.45) GSK3AGSK3BMAPTKDM4EMAPK1
SCHEMBL12303146 0.86 GSK3A (0.59) GSK3AGSK3BMAPTKDM4EMAPK1
SCHEMBL11917652 0.85 CYP1A2 (0.41) GSK3AGSK3BMAPTKDM4EMAPK1
SCHEMBL12619831 0.84 GSK3A (0.48) GSK3AGSK3BUSP1WDR48FADS1
SCHEMBL785933 0.84 USP1 (0.46) GSK3AGSK3BMAPTKDM4EUSP1
SCHEMBL13854196 0.84 GSK3A (0.57) GSK3AGSK3BMAPTKDM4EMAPK1
SCHEMBL10267576 0.82 FADS1 (0.47) GSK3AGSK3BMAPTKDM4EUSP1
SCHEMBL786256 0.82 USP1 (0.64) MAPTKDM4EUSP1WDR48MEN1
SCHEMBL12303145 0.81 USP1 (0.46) GSK3AGSK3BMAPTKDM4EUSP1
SCHEMBL12303151 0.81 PIP4K2C (0.45) MAPTKDM4EUSP1WDR48MEN1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7872129-B2 Compositions useful as inhibitors of GSK-3 VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 US disclosed
US-7872129-B2 Compositions useful as inhibitors of GSK-3 VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 US disclosed
US-7872129-B2 Compositions useful as inhibitors of GSK-3 VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 US disclosed
US-20090118278-A1 COMPOSITIONS USEFUL AS INHIBITORS OF GSK-3 VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-05-07 US disclosed
US-20090118278-A1 COMPOSITIONS USEFUL AS INHIBITORS OF GSK-3 VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-05-07 US disclosed
US-20090118278-A1 COMPOSITIONS USEFUL AS INHIBITORS OF GSK-3 VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-05-07 US disclosed
US-7491730-B2 Compositions useful as inhibitors of GSK-3 VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-17 US disclosed
US-7491730-B2 Compositions useful as inhibitors of GSK-3 VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-17 US disclosed
US-7491730-B2 Compositions useful as inhibitors of GSK-3 VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-17 US disclosed
EP-1739087-A1 Pyrazole compositions useful as inhibitors of gsk-3 Vertex Pharmaceuticals Incorporated (US) 2007-01-03 EP disclosed
EP-1532145-B1 PYRAZOLE COMPOSITIONS USEFUL AS INHIBITORS OF GSK-3 VERTEX PHARMA (US) 2006-09-13 EP disclosed
US-20040039007-A1 Compositions useful as inhibitors of GSK-3 VERTEX PHARMACEUTICALS INCORPORATED 2004-02-26 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-20090118278-A1 COMPOSITIONS USEFUL AS INHIBITORS OF GSK-3 GSK3B, GSK3A, GSKIP GSK3A 2/4885GSK3B 1/4885MAPT 570/4885
US-20040039007-A1 Compositions useful as inhibitors of GSK-3 GSK3A, GSK3B, GSKIP GSK3A 1/4885GSK3B 2/4885MAPT 788/4885

“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.