SCHEMBL2748249

SCHEMBL2748249

COc1cc2nccc(Oc3ccc4c(NC(=O)NC5CC5)cccc4c3)c2cc1OC

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 0.75
MET P08581 11/20 0.75
AURKA O14965 10/20 0.75
TEK Q02763 10/20 0.75
LCK P06239 8/20 0.75
AURKB Q96GD4 7/20 0.75
ABL1 P00519 3/20 0.75
LYN P07948 2/20 0.75
FGR P09769 1/20 0.75
KIT P10721 2/20 0.65
PDGFRA P16234 2/20 0.65
RIPK2 O43353 1/20 0.62
ERN1 O75460 1/20 0.62
STK10 O94804 1/20 0.62
MAP3K6 O95382 1/20 0.62
ESR1 P03372 1/20 0.62
RET P07949 1/20 0.62
PDGFRB P09619 1/20 0.62
ADORA3 P0DMS8 1/20 0.62
BCR P11274 1/20 0.62

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
SCHEMBL4548730 0.88 KDR (0.75) KDRMETAURKATEKLCK
SCHEMBL2746021 0.85 KDR (1.00) KDRMETAURKATEKLCK
SCHEMBL4549019 0.85 KDR (0.66) KDRMETAURKATEKLCK
SCHEMBL2747058 0.85 KDR (0.81) KDRMETAURKATEKLCK
SCHEMBL1892464 0.84 KDR (0.76) KDRMETAURKATEKLCK
SCHEMBL4548731 0.84 KDR (0.75) KDRMETAURKATEKLCK
SCHEMBL4549020 0.83 KDR (0.71) KDRMETAURKATEKLCK
SCHEMBL10280284 0.83 KDR (0.77) KDRMETAURKATEKLCK
SCHEMBL2747945 0.83 KDR (0.77) KDRMETAURKATEKLCK
SCHEMBL1894749 0.83 PDGFRA (0.90) KDRMETKITPDGFRA

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 12 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
EP-1713484-A2 COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-10-25 EP disclosed
WO-2005070891-A2 COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2005-08-04 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 (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 354/4885MET 3/4885AURKA 4148/4885
US-20090176774-A1 Compounds and methods of use HGF, HGFAC, MET KDR 354/4885MET 3/4885AURKA 4148/4885

“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.