SCHEMBL2709789

SCHEMBL2709789

CNc1cc(Oc2ccc3c(c2)OCN3C(=O)O)ncn1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.50
TNNI3K Q59H18 8/20 0.50
MAP2K7 O14733 5/20 0.47
RAF1 P04049 6/20 0.44
MAPK3 P27361 1/20 0.43
MAPK14 Q16539 6/20 0.42
BRAF P15056 3/20 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
SCHEMBL2708240 0.90 KDR (0.48) KDRTNNI3KMAP2K7RAF1
SCHEMBL2707647 0.84 KMO (0.43) KDR
SCHEMBL2706761 0.84 KDR (0.38) KDRTNNI3KMAPK14BRAF
SCHEMBL2433093 0.80 KDR (0.64) KDRTNNI3KRAF1MAPK3MAPK14
SCHEMBL3595725 0.80 KDR (0.49) KDRTNNI3KMAPK14BRAF
SCHEMBL2778276 0.80 KDR (0.51) KDRTNNI3KMAP2K7RAF1MAPK14
SCHEMBL2780386 0.78 KDR (0.49) KDRTNNI3KMAP2K7RAF1MAPK14
SCHEMBL2437154 0.78 KDR (0.46) KDRTNNI3KMAP2K7RAF1MAPK14
SCHEMBL2778534 0.77 KDR (0.48) KDRTNNI3KMAP2K7RAF1MAPK14
SCHEMBL2468152 0.75 KDR (0.42) KDR

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 1/4885TNNI3K 1828/4885MAP2K7 809/4885
US-20110301157-A1 BICYCLIC AMIDES AS KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 KDR 826/4885TNNI3K 111/4885MAP2K7 35/4885
US-20080287427-A1 Bicyclic Amides as Kinase Inhibitors MAP3K20, MAP3K1, MAP3K19 KDR 888/4885TNNI3K 107/4885MAP2K7 36/4885
US-20120172386-A1 Combinations Comprising a VEGF Receptor Inhibitor KDR, FLT4, FLT1 KDR 1/4885TNNI3K 1828/4885MAP2K7 809/4885

“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.