SCHEMBL2434151

SCHEMBL2434151

O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc(OCc2ccccc2)cc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPIA P62937 1/20 0.61
GRIK1 P39086 3/20 0.58
MAPT P10636 5/20 0.58
HTT P42858 3/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
RAB9A P51151 1/20 0.58
MAOB P27338 1/20 0.57
KDR P35968 1/20 0.57
IDH2 P48735 1/20 0.56
NTRK1 P04629 1/20 0.54
CDK19 Q9BWU1 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TRPV1 Q8NER1 1/20 0.52
NR4A2 P43354 2/20 0.51
POLB P06746 1/20 0.51
PDK1 Q15118 1/20 0.51

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
SCHEMBL2432234 0.83 KDR (0.50) PPIAKDRIDH2
SCHEMBL1463349 0.83 GSK3A (0.66) GRIK1MAPTHTTMEN1KMT2A
SCHEMBL273474 0.82 TRPV1 (0.57) KDRTRPV1
SCHEMBL1463622 0.81 TRPV1 (0.70) GRIK1MAPTHTTMEN1KMT2A
SCHEMBL4255007 0.81 PPIA (0.64) PPIAMAPTHTTMEN1KMT2A
SCHEMBL8148879 0.80 NR1H4 (0.71) MAPTMEN1KMT2ARAB9AMAOB
SCHEMBL5476438 0.80 MEN1 (0.67) GRIK1MAPTHTTMEN1KMT2A
SCHEMBL1463167 0.79 KDR (0.73) GRIK1MAPTHTTMEN1KMT2A
SCHEMBL13528827 0.78 MAPK14 (0.73) PPIAMAPTHTTMEN1KMT2A
SCHEMBL5595011 0.78 GRIK1 (0.73) GRIK1MAPTHTTMEN1KMT2A

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-20120172386-A1 Combinations Comprising a VEGF Receptor Inhibitor NOVARTIS AG (CH) 2012-07-05 US disclosed
EP-1945217-B1 COMBINATIONS COMPRISING A VEGF RECEPTOR INHIBITOR AND A PENETRATION ENHANCER NOVARTIS AG (CH) 2012-05-02 EP disclosed
US-20110301157-A1 BICYCLIC AMIDES AS KINASE INHIBITORS NOVARTIS AG 2011-12-08 US disclosed
US-8026247-B2 Bicyclic amides as kinase inhibitors NOVARTIS AG (CH) 2011-09-27 US disclosed
CN-101693709-A Bicyclic amides as kinase inhibitors NOVARTIS AG 2010-04-14 CN disclosed
US-20080306058-A1 Combinations Comprising a Vegf Receptor Inhibitor NOVARTIS AG 2008-12-11 US disclosed
US-20080287427-A1 Bicyclic Amides as Kinase Inhibitors NOVARTIS AG (CH) 2008-11-20 US disclosed
EP-1945217-A2 COMBINATIONS COMPRISING A VEGF RECEPTOR INHIBITOR AND A PENETRATION ENHANCER Novartis AG (CH) 2008-07-23 EP disclosed
CN-101018784-A Bicyclic amides as kinase inhibitors NOVARTIS AG (CH) 2007-08-15 CN disclosed
EP-1794149-A2 BICYCLIC AMIDES AS KINASE INHIBITORS Novartis AG (CH) 2007-06-13 EP disclosed
WO-2007031265-A2 COMBINATIONS COMPRISING A VEGF RECEPTOR INHIBITOR AND A PENETRATION ENHANCER NOVARTIS AG (CH) 2007-03-22 WO disclosed
WO-2006059234-A2 BICYCLIC AMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2006-06-08 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 (4 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-20080306058-A1 Combinations Comprising a Vegf Receptor Inhibitor KDR, FLT4, FLT1 PPIA 3512/4885GRIK1 3094/4885MAPT 2411/4885
US-20110301157-A1 BICYCLIC AMIDES AS KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 PPIA 1821/4885GRIK1 712/4885MAPT 1968/4885
US-20080287427-A1 Bicyclic Amides as Kinase Inhibitors MAP3K20, MAP3K1, MAP3K19 PPIA 1828/4885GRIK1 714/4885MAPT 2082/4885
US-20120172386-A1 Combinations Comprising a VEGF Receptor Inhibitor KDR, FLT4, FLT1 PPIA 3512/4885GRIK1 3094/4885MAPT 2411/4885

“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.