SCHEMBL2708240

SCHEMBL2708240

CNc1cc(Oc2ccc3c(c2)OCCN3C(=O)O)ncn1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.48
TNNI3K Q59H18 2/20 0.48
LCK P06239 5/20 0.47
MAP2K7 O14733 5/20 0.45
MET P08581 4/20 0.44
TEK Q02763 1/20 0.44
RAF1 P04049 2/20 0.43

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
SCHEMBL2709789 0.90 KDR (0.50) KDRTNNI3KMAP2K7RAF1
SCHEMBL2437154 0.86 KDR (0.46) KDRTNNI3KLCKMAP2K7MET
SCHEMBL2706559 0.84 KDR (0.46) KDRLCKMETTEK
SCHEMBL2778276 0.82 KDR (0.51) KDRTNNI3KMAP2K7RAF1
SCHEMBL2437401 0.81 KDR (0.62) KDRTNNI3KRAF1
SCHEMBL2780386 0.80 KDR (0.49) KDRTNNI3KMAP2K7RAF1
SCHEMBL2437252 0.80 RAF1 (0.53) KDRTNNI3KLCKMAP2K7MET
SCHEMBL2778534 0.80 KDR (0.48) KDRTNNI3KMAP2K7RAF1
SCHEMBL2710189 0.75 KDR (0.58) KDRLCKMETTEK
SCHEMBL2707692 0.75 KDR (0.51) KDRLCKMETTEK

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 6 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

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 1828/4885LCK 1705/4885
US-20110301157-A1 BICYCLIC AMIDES AS KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 KDR 826/4885TNNI3K 111/4885LCK 275/4885
US-20080287427-A1 Bicyclic Amides as Kinase Inhibitors MAP3K20, MAP3K1, MAP3K19 KDR 888/4885TNNI3K 107/4885LCK 311/4885
US-20120172386-A1 Combinations Comprising a VEGF Receptor Inhibitor KDR, FLT4, FLT1 KDR 1/4885TNNI3K 1828/4885LCK 1705/4885

“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.