SCHEMBL5114217

SCHEMBL5114217

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

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.39
MAP2K7 O14733 5/20 0.38
KDR P35968 11/20 0.38
TNNI3K Q59H18 7/20 0.38
MAPK14 Q16539 5/20 0.38
BRAF P15056 3/20 0.36
RAF1 P04049 2/20 0.36
MAPK3 P27361 1/20 0.36

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
SCHEMBL6038653 0.88 RAF1 (0.40) LOXL2MAP2K7KDRTNNI3KMAPK14
SCHEMBL5108870 0.87 LOXL2 (0.39) LOXL2MAP2K7KDRTNNI3KMAPK14
SCHEMBL5108477 0.85 MCHR1 (0.37) LOXL2MAP2K7KDRTNNI3KMAPK14
SCHEMBL5115233 0.80 KDR (0.46) MAP2K7KDRTNNI3KMAPK14
SCHEMBL5108423 0.80 KDR (0.45) LOXL2KDRTNNI3KMAPK14BRAF
SCHEMBL5113699 0.78 FGFR1 (0.44) LOXL2KDR
SCHEMBL5108081 0.76 MAP2K7 (0.38) LOXL2MAP2K7KDRTNNI3KMAPK14
SCHEMBL5107848 0.75 MAP2K7 (0.39) LOXL2MAP2K7KDRTNNI3KBRAF
SCHEMBL6038797 0.74 LOXL2 (0.37) LOXL2MAP2K7KDRTNNI3K
SCHEMBL6038791 0.73 MAP2K7 (0.39) LOXL2MAP2K7KDRTNNI3KBRAF

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 LOXL2 4089/4885MAP2K7 4223/4885KDR 1940/4885
US-20050187236-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 LOXL2 4089/4885MAP2K7 4223/4885KDR 1940/4885
US-20070004764-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 LOXL2 4089/4885MAP2K7 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.