SCHEMBL5108477

SCHEMBL5108477

CCN(CC)CCNC(=O)Nc1cc(Oc2cccc3c2ccn3C(=O)NC)ncn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.37
MAP2K7 O14733 3/20 0.36
KDR P35968 8/20 0.36
BRAF P15056 4/20 0.36
EGFR P00533 2/20 0.36
FGFR1 P11362 2/20 0.36
ABL1 P00519 1/20 0.36
PDGFRB P09619 1/20 0.36
KIT P10721 1/20 0.36
SRC P12931 1/20 0.36
EPHB4 P54760 1/20 0.36
TEK Q02763 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
MAPK14 Q16539 4/20 0.35
TNNI3K Q59H18 4/20 0.35
RAF1 P04049 3/20 0.34

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
SCHEMBL5108870 0.89 LOXL2 (0.39) MAP2K7KDRBRAFLOXL2MAPK14
SCHEMBL5114217 0.85 LOXL2 (0.39) MAP2K7KDRBRAFLOXL2MAPK14
SCHEMBL5101444 0.83 KDR (0.42) MAP2K7KDRFGFR1
SCHEMBL6038653 0.82 RAF1 (0.40) MAP2K7KDRBRAFLOXL2MAPK14
SCHEMBL5113936 0.79 EGFR (0.40) KDRBRAFEGFRFGFR1ABL1
SCHEMBL13999450 0.78 KDR (0.48) KDRFGFR1
SCHEMBL5101391 0.77 EGFR (0.41) MCHR1KDRBRAFEGFRFGFR1
SCHEMBL5108423 0.76 KDR (0.45) KDRBRAFLOXL2MAPK14TNNI3K
SCHEMBL5113699 0.73 FGFR1 (0.44) KDREGFRFGFR1LOXL2
SCHEMBL5104401 0.72 EGFR (0.40) MCHR1KDRBRAFEGFRFGFR1

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 10 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-7468380-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-12-23 US disclosed
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-20070004764-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-01-04 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-20060004029-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-01-05 US disclosed
US-20050187236-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-08-25 US disclosed
EP-1522540-A1 AZAARENE DERIVATIVES Eisai Co., Ltd. (JP) 2005-04-13 EP 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 (3 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-20060004029-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 MCHR1 599/4885MAP2K7 4223/4885KDR 1940/4885
US-20050187236-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 MCHR1 599/4885MAP2K7 4223/4885KDR 1940/4885
US-20070004764-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 MCHR1 599/4885MAP2K7 4223/4885KDR 1940/4885

“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.