SCHEMBL4548942

SCHEMBL4548942

O=C(Nc1cccnc1)c1cccc2cc(Oc3ncnc4[nH]ccc34)ccc12

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 19/20 0.75
CYP3A4 P08684 2/20 0.57
CYP2D6 P10635 2/20 0.57
FLT1 P17948 4/20 0.52
RET P07949 3/20 0.52
PDGFRB P09619 3/20 0.52
PDGFRA P16234 1/20 0.52
FLT3 P36888 1/20 0.49
BRAF P15056 1/20 0.49
MAPK14 Q16539 1/20 0.49
TNNI3K Q59H18 1/20 0.49
FLT4 P35916 3/20 0.48
KIT P10721 2/20 0.46

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
SCHEMBL4548912 0.90 KDR (0.84) KDRFLT1BRAFMAPK14TNNI3K
SCHEMBL4548920 0.86 KDR (0.85) KDRFLT1BRAFMAPK14TNNI3K
SCHEMBL4548917 0.86 KDR (0.75) KDRFLT1FLT3BRAFMAPK14
SCHEMBL4548941 0.85 KDR (0.77) KDRFLT1RETPDGFRBBRAF
SCHEMBL4548913 0.85 KDR (0.83) KDRFLT1BRAFMAPK14TNNI3K
SCHEMBL4548939 0.85 KDR (0.77) KDRFLT1BRAFMAPK14TNNI3K
SCHEMBL4548914 0.85 KDR (0.83) KDRCYP3A4CYP2D6FLT1BRAF
SCHEMBL4812261 0.85 KDR (1.00) KDRFLT1BRAFMAPK14TNNI3K
SCHEMBL4548926 0.85 KDR (0.73) KDRFLT1RETPDGFRBBRAF
SCHEMBL4548938 0.85 KDR (0.76) KDRCYP3A4CYP2D6FLT1BRAF

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-8178557-B2 Compounds and methods of use AMGEN INC. (US) 2012-05-15 US disclosed
US-8178557-B2 Compounds and methods of use AMGEN INC. (US) 2012-05-15 US disclosed
US-20090176774-A1 Compounds and methods of use AMGEN INC. (US) 2009-07-09 US disclosed
US-20090176774-A1 Compounds and methods of use AMGEN INC. (US) 2009-07-09 US disclosed
US-7435823-B2 Compounds and methods of use AMGEN INC. (US) 2008-10-14 US disclosed
US-7435823-B2 Compounds and methods of use AMGEN INC. (US) 2008-10-14 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 (1 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-20090176774-A1 Compounds and methods of use HGF, HGFAC, MET KDR 354/4885CYP3A4 348/4885CYP2D6 363/4885

“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.