SCHEMBL2746818

SCHEMBL2746818

CNc1nccc(Oc2ccc3c(NC(=O)c4ccc(Br)cc4)cccc3c2)n1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.58
SIRT2 Q8IXJ6 2/20 0.49
SIRT1 Q96EB6 2/20 0.49
SIRT3 Q9NTG7 2/20 0.49
TDP1 Q9NUW8 1/20 0.47
BRAF P15056 1/20 0.45
MAPK14 Q16539 1/20 0.45
TNNI3K Q59H18 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
RET P07949 1/20 0.44
FLT1 P17948 1/20 0.44

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
SCHEMBL2748221 0.91 KDR (0.59) KDRSIRT2SIRT1SIRT3BRAF
SCHEMBL2749093 0.91 KDR (0.61) KDRSIRT2SIRT1SIRT3NPC1
SCHEMBL2748245 0.91 KDR (0.58) KDRSIRT2SIRT1SIRT3BRAF
SCHEMBL2749372 0.91 KDR (0.71) KDRSIRT2SIRT1SIRT3KMT2A
SCHEMBL2754310 0.89 KDR (0.57) KDRSIRT2SIRT1SIRT3BRAF
SCHEMBL2747293 0.88 KDR (0.56) KDRSIRT2SIRT1SIRT3BRAF
SCHEMBL2747363 0.84 KDR (0.60) KDRTDP1BRAFMAPK14TNNI3K
SCHEMBL2747536 0.82 KDR (0.58) KDRSIRT2SIRT1SIRT3BRAF
SCHEMBL4818465 0.80 SIRT2 (0.58) KDRSIRT2SIRT1SIRT3TDP1
SCHEMBL2746837 0.77 KDR (0.66) KDRBRAFFLT1

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-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-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-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
US-7435823-B2 Compounds and methods of use AMGEN INC. (US) 2008-10-14 US disclosed
US-20060241115-A1 Compounds and methods of use AMGEN INC. 2006-10-26 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-20060241115-A1 Compounds and methods of use HGF, HGFAC, MET KDR 354/4885SIRT2 1966/4885SIRT1 1349/4885
US-20090176774-A1 Compounds and methods of use HGF, HGFAC, MET KDR 354/4885SIRT2 1966/4885SIRT1 1349/4885

“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.