SCHEMBL5115137

SCHEMBL5115137

COC(=O)n1cc(C(N)=O)c2ccc(Oc3cc(N)ncn3)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.43
FLT1 P17948 2/20 0.41
FLT4 P35916 2/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PLA2G10 O15496 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
BRAF P15056 1/20 0.38
MAPK14 Q16539 1/20 0.38
TNNI3K Q59H18 1/20 0.38
MAPK10 P53779 7/20 0.36
MAPK8 P45983 4/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
AURKA O14965 1/20 0.35
MET P08581 1/20 0.35
TEK Q02763 1/20 0.35
AURKB Q96GD4 1/20 0.35

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
SCHEMBL5101356 0.85 KDM4E (0.41) KDRMEN1KMT2APLA2G10BRAF
SCHEMBL5115545 0.78 MEN1 (0.38) KDRFLT1FLT4MEN1KMT2A
SCHEMBL2706563 0.76 KDR (0.43) KDRFLT1FLT4MEN1KMT2A
SCHEMBL2430846 0.74 KDR (0.46) KDRFLT1FLT4MEN1KMT2A
SCHEMBL2706823 0.74 KDR (0.42) KDRFLT1FLT4NPC1RAB9A
SCHEMBL2435078 0.69 NR4A2 (0.52) KDRFLT1FLT4NPC1RAB9A
SCHEMBL5107630 0.69 KDR (0.55) KDRFLT1FLT4BRAFMAPK14
SCHEMBL2431002 0.67 KDR (0.72) KDRFLT1FLT4BRAFMAPK14
SCHEMBL5107720 0.67 KDR (0.65) KDRFLT1FLT4
SCHEMBL2431516 0.66 KDR (0.70) KDRFLT1FLT4BRAFMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468380-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-12-23 US disclosed
US-20070004764-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-01-04 US disclosed
US-20050187236-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-08-25 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 (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-20050187236-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 KDR 1940/4885FLT1 1890/4885FLT4 2157/4885
US-20070004764-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 KDR 1940/4885FLT1 1890/4885FLT4 2157/4885

“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.