SCHEMBL3501883

SCHEMBL3501883

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.63
AURKB Q96GD4 5/20 0.63
AURKA O14965 4/20 0.63
MET P08581 4/20 0.63
TEK Q02763 4/20 0.63
ABL1 P00519 2/20 0.56
LCK P06239 1/20 0.56
LYN P07948 1/20 0.56
AXL P30530 2/20 0.54
RET P07949 7/20 0.53
PDGFRA P16234 5/20 0.53
PDGFRB P09619 3/20 0.53
KIT P10721 2/20 0.53
FGFR1 P11362 2/20 0.53
FLT1 P17948 2/20 0.53
FLT4 P35916 2/20 0.53
RIPK2 O43353 1/20 0.53
ERN1 O75460 1/20 0.53
STK10 O94804 1/20 0.53
MAP3K6 O95382 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
SCHEMBL31218163 0.86 KDR (0.71) KDRAURKBAURKAMETTEK
SCHEMBL12411989 0.86 KDR (0.65) KDRAURKBAURKAMETTEK
SCHEMBL1890626 0.85 KDR (0.70) KDRAURKBAURKAMETTEK
SCHEMBL12411987 0.84 AXL (0.70) KDRAURKBAURKAMETTEK
SCHEMBL12411988 0.83 KDR (0.55) KDRAURKBAURKAMETTEK
SCHEMBL1889883 0.83 KDR (0.56) KDRAURKBAURKAMETTEK
SCHEMBL12411990 0.83 KDR (0.53) KDRAURKBAURKAMETTEK
SCHEMBL7486131 0.82 PDGFRA (0.68) KDRAURKBAURKAMETTEK
SCHEMBL29186593 0.82 KDR (0.69) KDRAURKBAURKAMETTEK
SCHEMBL2173091 0.82 KDR (0.64) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197911-A1 Nitrogen-Containing Aromatic Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-05 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.