SCHEMBL2706761

SCHEMBL2706761

Nc1cc(Oc2ccc3c(c2)OCN3C(=O)O)ncn1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.38
BRAF P15056 1/20 0.38
MAPK14 Q16539 1/20 0.38
TNNI3K Q59H18 1/20 0.38
KMO O15229 1/20 0.37
FLT1 P17948 2/20 0.36
FLT4 P35916 2/20 0.36
LCK P06239 3/20 0.34
MET P08581 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TEK Q02763 1/20 0.34
PIK3CA P42336 1/20 0.33
CHRM4 P08173 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
SCHEMBL2706559 0.89 KDR (0.46) KDRLCKMETTEK
SCHEMBL2707647 0.87 KMO (0.43) KDRKMOLCKMETTEK
SCHEMBL2709789 0.84 KDR (0.50) KDRBRAFMAPK14TNNI3K
SCHEMBL2707860 0.81 KDR (0.43) KDRFLT1FLT4LCKMET
SCHEMBL2707864 0.79 MEN1 (0.49) KDRLCKMETRAB9ATEK
SCHEMBL2437406 0.79 KDR (0.63) KDRBRAFMAPK14TNNI3KFLT1
SCHEMBL2777587 0.78 NOTUM (0.44) KDRBRAFMAPK14TNNI3KKMO
SCHEMBL2435966 0.78 KDR (0.57) KDRBRAFMAPK14TNNI3KFLT1
SCHEMBL2468152 0.77 KDR (0.42) KDRLCKMETTEK
SCHEMBL2777187 0.76 HSD17B10 (0.48) KDRBRAFMAPK14TNNI3KKMO

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 KDR 1/4885BRAF 178/4885MAPK14 2568/4885
US-20110301157-A1 BICYCLIC AMIDES AS KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 KDR 826/4885BRAF 26/4885MAPK14 106/4885
US-20080287427-A1 Bicyclic Amides as Kinase Inhibitors MAP3K20, MAP3K1, MAP3K19 KDR 888/4885BRAF 25/4885MAPK14 101/4885
US-20120172386-A1 Combinations Comprising a VEGF Receptor Inhibitor KDR, FLT4, FLT1 KDR 1/4885BRAF 178/4885MAPK14 2568/4885

“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.