SCHEMBL4395865

SCHEMBL4395865

FC(F)(F)c1ccc(-c2n[c]ncc2-c2ncc[nH]2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.36
KIF11 P52732 1/20 0.36
NISCH Q9Y2I1 3/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
SCN2A Q99250 2/20 0.35
NPY5R Q15761 1/20 0.35
FPR2 P25090 2/20 0.35
COMT P21964 1/20 0.35
MAPK13 O15264 1/20 0.34
RAF1 P04049 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
VCP P55072 1/20 0.34
MTOR P42345 1/20 0.34
ADK P55263 1/20 0.34
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 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
SCHEMBL7025833 0.84 FEN1 (0.37) MRGPRX4FPR2
SCHEMBL7017603 0.82 NISCH (0.57) TRPV1NISCHVCPMTORADK
SCHEMBL7026204 0.82 NISCH (0.38) TRPV1NISCHNPY5RFPR2MAPK13
SCHEMBL7023035 0.79 CYP1A2 (0.39) TRPV1NISCHMAPK14MTORADK
SCHEMBL772274 0.76 NISCH (0.58) TRPV1KIF11NISCHMRGPRX4SCN2A
SCHEMBL7018198 0.76 POLB (0.39) KIF11MRGPRX4
SCHEMBL7020750 0.76 TRPA1 (0.38) TRPV1
SCHEMBL7255565 0.76 KCNH2 (0.39) NISCHMTORADKKDM4EALDH1A1
SCHEMBL7853061 0.74 PIM1 (0.40)
SCHEMBL7249892 0.73 RPS6KA3 (0.43) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100506801-C Inhibitors of glycogen synthase kinase 3 CHIRON CORP (US) 2009-07-01 CN disclosed
US-20090074886-A1 GSK-3 INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS INC. 2009-03-19 US disclosed
EP-1653970-A4 GSK-3 INHIBITORS AND USES THEREOF NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-10-15 EP disclosed
EP-1490093-A4 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ISCHEMIA NOVARTIS VACCINES & DIAGNOSTIC (US) 2007-04-11 EP disclosed
EP-1653970-A2 GSK-3 INHIBITORS AND USES THEREOF CHIRON CORPORATION (US) 2006-05-10 EP disclosed
WO-2005039485-A2 GSK-3 INHIBITORS AND USES THEREOF CHIRON CORPORATION (US) 2005-05-06 WO disclosed
CN-1592743-A Inhibitors of glycogen synthase kinase 3 CHIRON CORP (US) 2005-03-09 CN disclosed
EP-1490093-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ISCHEMIA CHIRON CORPORATION (US) 2004-12-29 EP disclosed
WO-2003074072-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ISCHEMIA CHIRON CORPORATION (US) 2003-09-12 WO disclosed
EP-1317433-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2003-06-11 EP disclosed
WO-2002020495-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-03-14 WO disclosed
EP-1087963-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 Chiron Corporation (US) 2001-04-04 EP disclosed
WO-1999065897-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 1999-12-23 WO 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-20090074886-A1 GSK-3 INHIBITORS GSK3B, GSK3A, GSKIP TRPV1 4767/4885KIF11 3000/4885NISCH 4554/4885

“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.