SCHEMBL5107641

SCHEMBL5107641

CNC(=O)n1ccc2ccc(Oc3cc(N(C(=O)O)C(=O)Oc4ccccc4-c4ccccc4)ncn3)cc21

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP2K7 O14733 1/20 0.37
KDR P35968 17/20 0.36
KCNH2 Q12809 2/20 0.36
SCN9A Q15858 1/20 0.33
FGFR1 P11362 2/20 0.32
FGFR2 P21802 1/20 0.32
FGFR3 P22607 1/20 0.32

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
SCHEMBL6038700 0.90 MAP2K7 (0.40) MAP2K7KDRKCNH2
SCHEMBL5101456 0.89 FGFR1 (0.37) KDRFGFR1FGFR2FGFR3
SCHEMBL5107640 0.87 KDR (0.40) MAP2K7KDRKCNH2
SCHEMBL5107854 0.85 MAP2K7 (0.34) MAP2K7KDRSCN9A
SCHEMBL6038760 0.78 GCK (0.39) FGFR1FGFR3
SCHEMBL6038791 0.78 MAP2K7 (0.39) MAP2K7KDRKCNH2
SCHEMBL5101452 0.74 GCK (0.40) FGFR1FGFR3
SCHEMBL6038705 0.74 KDR (0.41) KDRKCNH2
SCHEMBL5107848 0.74 MAP2K7 (0.39) MAP2K7KDRKCNH2
SCHEMBL5114703 0.74 KDR (0.49) MAP2K7KDRKCNH2

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 4 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-7109219-B2 Nitrogen-containing aromatic derivatives EISAI CO., LTD. (JP) 2006-09-19 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 MAP2K7 4223/4885KDR 1940/4885KCNH2 955/4885
US-20070004764-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 MAP2K7 4223/4885KDR 1940/4885KCNH2 955/4885

“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.