SCHEMBL12411990

SCHEMBL12411990

COc1cc2nccc(Oc3ccc(N(C)C(=O)NCCCSC)cc3)c2cc1C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.53
AURKB Q96GD4 5/20 0.53
AURKA O14965 5/20 0.53
TEK Q02763 5/20 0.53
MET P08581 4/20 0.53
RET P07949 10/20 0.49
AXL P30530 3/20 0.49
ABL1 P00519 2/20 0.47
RIPK2 O43353 1/20 0.47
ERN1 O75460 1/20 0.47
STK10 O94804 1/20 0.47
MAP3K6 O95382 1/20 0.47
ESR1 P03372 1/20 0.47
PDGFRB P09619 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
KIT P10721 1/20 0.47
BCR P11274 1/20 0.47
FGFR1 P11362 1/20 0.47
NQO2 P16083 1/20 0.47
PDGFRA P16234 1/20 0.47

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
SCHEMBL12503765 0.89 PDGFRA (0.47) KDRAURKATEKMETAXL
SCHEMBL12411991 0.88 KDR (0.52) KDRAURKBAURKATEKMET
SCHEMBL3501883 0.83 KDR (0.63) KDRAURKBAURKATEKMET
SCHEMBL1893993 0.81 KDR (0.59) KDRAURKBAURKATEKMET
SCHEMBL12411989 0.81 KDR (0.65) KDRAURKBAURKATEKMET
SCHEMBL19956935 0.80 KDR (0.62) KDRAURKBAURKATEKMET
SCHEMBL12411958 0.80 KDR (0.54) KDRAURKBAURKATEKMET
SCHEMBL20927292 0.80 KDR (0.62) KDRAURKBAURKATEKMET
SCHEMBL12411987 0.79 AXL (0.70) KDRAURKBAURKATEKMET
SCHEMBL12502303 0.79 PDGFRA (0.48) KDRAURKATEKMETAXL

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-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-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
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
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

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-20100197911-A1 Nitrogen-Containing Aromatic Derivatives GNG2, GCG, FRG1 KDR 2687/4885AURKB 1909/4885AURKA 1006/4885

“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.