SCHEMBL1895085

SCHEMBL1895085

COc1cc2nccc(Oc3ccc([N+](=O)[O-])c(C)c3C)c2cc1C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.53
AURKB Q96GD4 5/20 0.53
AURKA O14965 4/20 0.53
MET P08581 4/20 0.53
TEK Q02763 4/20 0.53
SRC P12931 4/20 0.49
TGFBR1 P36897 4/20 0.49
ABL1 P00519 2/20 0.47
LCK P06239 1/20 0.47
LYN P07948 1/20 0.47
PDGFRA P16234 5/20 0.47
PDGFRB P09619 3/20 0.47
AXL P30530 2/20 0.45
RET P07949 2/20 0.45
RIPK2 O43353 1/20 0.45
ERN1 O75460 1/20 0.45
STK10 O94804 1/20 0.45
MAP3K6 O95382 1/20 0.45
ESR1 P03372 1/20 0.45
ADORA3 P0DMS8 1/20 0.45

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
SCHEMBL29079697 0.88 KDR (0.56) KDRAURKBAURKAMETTEK
SCHEMBL1896046 0.85 KDR (0.62) KDRAURKBAURKAMETTEK
SCHEMBL20927330 0.85 KDR (0.64) KDRAURKBAURKAMETTEK
SCHEMBL19957395 0.85 PDGFRA (0.60) KDRAURKBAURKAMETTEK
SCHEMBL1890297 0.84 KDR (0.58) KDRAURKBAURKAMETTEK
SCHEMBL1894083 0.83 KDR (0.59) KDRAURKBAURKAMETTEK
SCHEMBL1893998 0.82 KDR (0.61) KDRAURKBAURKAMETTEK
SCHEMBL30433935 0.82 KDR (0.61) KDRAURKBAURKAMETTEK
SCHEMBL19957006 0.82 KDR (0.61) KDRAURKBAURKAMETTEK
SCHEMBL21776553 0.81 KDR (0.52) KDRAURKBAURKAMETTEK

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372981-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-02-12 US disclosed
US-7973160-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-07-05 US disclosed
US-20110118470-A1 NITROGEN-CONTAINING AROMATIC DERIVATIVES FUNAHASHI YASUHIRO 2011-05-19 US disclosed
US-20100197911-A1 Nitrogen-Containing Aromatic Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-05 US disclosed
US-7612092-B2 Urea derivatives containing aromatic or heteroaromatic rings; 4-(3-chloro-4-(cyclopropylaminocarbonyl)aminophenoxy)-7-methoxy-6-quinolinecarboxamide; prophylactic or therapeutic agent for a disease for which angiogenesis inhibition is effective EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-11-03 US disclosed
EP-1777218-B1 Process for the preparation of 4-phenoxy quinoline derivatives EISAI R&D MAN CO LTD (JP) 2008-12-31 EP disclosed
US-7253286-B2 Urea derivatives containing aromatic or heteroaromatic rings, useful as prophylactic or therapeutic agent for a disease for which angiogenesis inhibition is effective EISAI CO., LTD (JP) 2007-08-07 US disclosed
EP-1777218-A1 Process for the preparation of 4-phenoxy quinoline derivatives Eisai R&D Management Co., Ltd. (JP) 2007-04-25 EP disclosed
EP-1415987-B1 NITROGENOUS AROMATIC RING COMPOUNDS AS ANTI CANCER AGENTS EISAI R&D MAN CO LTD (JP) 2007-02-28 EP disclosed
US-20060247259-A1 Urea derivatives containing aromatic or heteroaromatic rings; 4-(3-chloro-4-(cyclopropylaminocarbonyl)aminophenoxy)-7-methoxy-6-quinolinecarboxamide; prophylactic or therapeutic agent for a disease for which angiogenesis inhibition is effective EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-11-02 US disclosed
US-20060160832-A1 Urea derivatives containing aromatic or heteroaromatic rings; 4-(3-chloro-4-(cyclopropylaminocarbonyl)aminophenoxy)-7-methoxy-6-quinolinecarboxamide; prophylactic or therapeutic agent for a disease for which angiogenesis inhibition is effective EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-07-20 US disclosed
EP-1506962-A2 Nitrogen-containing aromatic heterocycles Eisai Co. Ltd. (JP) 2005-02-16 EP disclosed
EP-1415987-A1 NITROGENOUS AROMATIC RING COMPOUNDS Eisai Co., Ltd. (JP) 2004-05-06 EP disclosed
US-20040053908-A1 Urea derivatives containing aromatic or heteroaromatic rings, useful as prophylactic or therapeutic agent for a disease for which angiogenesis inhibition is effective EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-03-18 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 (5 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-20100197911-A1 Nitrogen-Containing Aromatic Derivatives GNG2, GCG, FRG1 KDR 2687/4885AURKB 1909/4885AURKA 1006/4885
US-20040053908-A1 Urea derivatives containing aromatic or heteroaromatic rings, useful as prophylactic or therapeutic agent for a disease for which angiogenesis inhibition is effective VEGFA, UACA, UTS2R KDR 22/4885AURKB 2738/4885AURKA 2691/4885
US-20060247259-A1 Urea derivatives containing aromatic or heteroaromatic rings; 4-(3-chloro-4-(cyclopropylaminocarbonyl)aminophenoxy)-7-methoxy-6-quinolinecarboxamide; prophylactic or therapeutic agent for a disease for which angiogenesis inhibition is effective UGGT1, FLT1, GCG KDR 60/4885AURKB 3642/4885AURKA 3091/4885
US-20110118470-A1 NITROGEN-CONTAINING AROMATIC DERIVATIVES GNG2, GCG, FRG1 KDR 2782/4885AURKB 2033/4885AURKA 1136/4885
US-20060160832-A1 Urea derivatives containing aromatic or heteroaromatic rings; 4-(3-chloro-4-(cyclopropylaminocarbonyl)aminophenoxy)-7-methoxy-6-quinolinecarboxamide; prophylactic or therapeutic agent for a disease for which angiogenesis inhibition is effective UGGT1, FLT1, GCG KDR 60/4885AURKB 3642/4885AURKA 3091/4885

“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.