SCHEMBL2707798

SCHEMBL2707798

CC(C)N1CCN(Cc2ccc(C(N)=O)cc2C(F)(F)F)CC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 6/20 0.56
NR1H2 P55055 1/20 0.49
ABL1 P00519 1/20 0.45
KIT P10721 2/20 0.45
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
KDM4E B2RXH2 3/20 0.44
ATM Q13315 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
GAA P10253 1/20 0.44
HRH3 Q9Y5N1 3/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
BRAF P15056 1/20 0.42
SCD O00767 1/20 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
SCHEMBL3311056 0.86 NR1H2 (0.52) DDR1NR1H2ABL1KITATM
SCHEMBL2707620 0.86 NR1H2 (0.66) DDR1NR1H2ABL1KITALDH1A1
SCHEMBL2777362 0.85 DDR1 (0.51) DDR1NR1H2KITALDH1A1TDP1
SCHEMBL16380735 0.84 NR1H2 (0.49) DDR1NR1H2KITALDH1A1TDP1
SCHEMBL16380700 0.84 DDR1 (0.50) DDR1NR1H2KITALDH1A1TDP1
SCHEMBL16380771 0.83 NR1H2 (0.51) DDR1NR1H2ABL1KITALDH1A1
SCHEMBL30486164 0.83 KIT (0.52) DDR1ABL1KITBRAF
SCHEMBL3919981 0.82 NPSR1 (0.62) DDR1NR1H2KITALDH1A1TDP1
SCHEMBL2709582 0.81 PDE3B (0.50) DDR1NR1H2ABL1KITALDH1A1
SCHEMBL29921818 0.81 PDE3B (0.50) DDR1NR1H2ABL1KITALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110301157-A1 BICYCLIC AMIDES AS KINASE INHIBITORS NOVARTIS AG 2011-12-08 US claimed
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-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
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 DDR1 191/4885NR1H2 624/4885ABL1 434/4885
US-20110301157-A1 BICYCLIC AMIDES AS KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 DDR1 1991/4885NR1H2 2047/4885ABL1 67/4885
US-20080287427-A1 Bicyclic Amides as Kinase Inhibitors MAP3K20, MAP3K1, MAP3K19 DDR1 1879/4885NR1H2 2138/4885ABL1 95/4885
US-20120172386-A1 Combinations Comprising a VEGF Receptor Inhibitor KDR, FLT4, FLT1 DDR1 191/4885NR1H2 624/4885ABL1 434/4885

“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.