SCHEMBL5115233

SCHEMBL5115233

CCN(CC)C(=O)Nc1cc(Oc2ccc3ccn(C(=O)NC)c3c2)ncn1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.46
KCNH2 Q12809 1/20 0.44
MAP2K7 O14733 2/20 0.42
TNNI3K Q59H18 2/20 0.41
FGFR1 P11362 3/20 0.41
MAPK14 Q16539 1/20 0.40

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
SCHEMBL5113405 0.88 FGFR1 (0.49) FGFR1
SCHEMBL5104642 0.87 KDR (0.46) KDRKCNH2MAP2K7TNNI3KFGFR1
SCHEMBL5101444 0.85 KDR (0.42) KDRKCNH2MAP2K7FGFR1
SCHEMBL5114217 0.80 LOXL2 (0.39) KDRMAP2K7TNNI3KMAPK14
SCHEMBL5101884 0.80 FGFR1 (0.49) FGFR1
SCHEMBL5107630 0.80 KDR (0.55) KDRKCNH2TNNI3KMAPK14
SCHEMBL6038812 0.79 KDR (0.55) KDRKCNH2TNNI3K
SCHEMBL5116270 0.77 FGFR1 (0.51) KDRFGFR1
SCHEMBL13999450 0.77 KDR (0.48) KDRKCNH2FGFR1
SCHEMBL5109118 0.76 KDR (0.46) KDRKCNH2MAP2K7FGFR1

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 KDR 1940/4885KCNH2 955/4885MAP2K7 4223/4885
US-20050187236-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 KDR 1940/4885KCNH2 955/4885MAP2K7 4223/4885
US-20070004764-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 KDR 1940/4885KCNH2 955/4885MAP2K7 4223/4885

“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.