SCHEMBL4912985

SCHEMBL4912985

CNc1cc(Oc2ccc3ccccc3c2)ncn1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.59
TNNI3K Q59H18 9/20 0.59
RAF1 P04049 5/20 0.54
MAP2K7 O14733 5/20 0.51
MAPK14 Q16539 7/20 0.47
BRAF P15056 4/20 0.47

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
SCHEMBL2776544 0.85 KDR (0.50) KDRTNNI3KRAF1MAP2K7MAPK14
SCHEMBL22592313 0.80 KDR (0.67) KDRTNNI3KRAF1MAP2K7MAPK14
SCHEMBL2778530 0.79 KDR (0.47) KDRTNNI3KRAF1MAP2K7MAPK14
SCHEMBL2434197 0.79 KDR (0.70) KDRTNNI3KRAF1MAP2K7MAPK14
SCHEMBL3177337 0.78 KDR (0.58) KDRTNNI3KRAF1MAP2K7MAPK14
SCHEMBL4548796 0.76 KDR (0.84) KDRTNNI3K
SCHEMBL7790214 0.76 HAO1 (0.47) KDR
SCHEMBL4822084 0.73 KDR (0.54) KDRTNNI3KMAPK14BRAF
SCHEMBL15135487 0.73 KDR (0.50) KDRMAP2K7
SCHEMBL2709280 0.73 KDR (0.56) KDRTNNI3KRAF1MAP2K7MAPK14

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 2 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
US-20080306058-A1 Combinations Comprising a Vegf Receptor Inhibitor NOVARTIS AG 2008-12-11 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 (2 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 1828/4885RAF1 524/4885
US-20120172386-A1 Combinations Comprising a VEGF Receptor Inhibitor KDR, FLT4, FLT1 KDR 1/4885TNNI3K 1828/4885RAF1 524/4885

“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.