SCHEMBL4549037

SCHEMBL4549037

COc1cc2ncnc(Nc3ccc4c(C(=O)NC5CC5)cccc4c3)c2cc1OC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 16/20 0.69
▸ AURKA O14965 7/20 0.69
▸ MET P08581 6/20 0.69
▸ TEK Q02763 6/20 0.69
▸ AURKB Q96GD4 4/20 0.69
▸ LCK P06239 3/20 0.63
▸ ABL1 P00519 1/20 0.63
▸ LYN P07948 1/20 0.63
▸ FGR P09769 1/20 0.63
▸ RET P07949 2/20 0.55
▸ EGFR P00533 3/20 0.55
▸ MAPK14 Q16539 1/20 0.55
▸ FGFR1 P11362 1/20 0.54
▸ FLT1 P17948 1/20 0.54
▸ CDK2 P24941 1/20 0.54
▸ PIK3R1 P27986 1/20 0.54
▸ EPHB2 P29323 1/20 0.54
▸ KIF5B P33176 1/20 0.54
▸ TTBK1 Q5TCY1 1/20 0.54
▸ CLK1 P49759 1/20 0.53

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
SCHEMBL2746962 0.86 KDR (0.62) KDRLCKRETEGFRMAPK14
SCHEMBL2746015 0.86 KDR (0.62) KDRAURKAAURKBLCKRET
SCHEMBL2747392 0.85 KDR (0.69) KDRAURKAMETTEKAURKB
SCHEMBL2747131 0.85 KDR (0.74) KDRAURKAAURKBRETEGFR
SCHEMBL2747187 0.84 KDR (0.71) KDRAURKAAURKBEGFRMAPK14
SCHEMBL5753165 0.82 KDR (0.58) KDRAURKAAURKBLCKRET
SCHEMBL2747980 0.82 EGFR (0.68) KDRLCKABL1EGFRMAPK14
SCHEMBL4549035 0.82 KDR (1.00) KDRAURKAMETTEKAURKB
SCHEMBL4821285 0.79 BRAF (0.71) KDREGFRMAPK14
SCHEMBL11931697 0.79 KDR (0.54) KDRAURKAAURKBLCKRET

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-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 354/4885AURKA 4148/4885MET 3/4885
US-20090176774-A1 Compounds and methods of use HGF, HGFAC, MET KDR 354/4885AURKA 4148/4885MET 3/4885

“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.

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