SCHEMBL5113789

SCHEMBL5113789

CCN(CC)CCCNC(=O)Nc1cc(Nc2ccc3c(ccn3C(=O)Nc3ccccc3)c2)ncn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.42
ABL1 P00519 1/20 0.42
PDGFRB P09619 1/20 0.42
KIT P10721 1/20 0.42
FGFR1 P11362 1/20 0.42
SRC P12931 1/20 0.42
BRAF P15056 1/20 0.42
KDR P35968 1/20 0.42
EPHB4 P54760 1/20 0.42
TEK Q02763 1/20 0.42
KMT2A Q03164 1/20 0.40
AURKA O14965 2/20 0.39
AURKB Q96GD4 2/20 0.39
ERBB2 P04626 1/20 0.38
ERBB3 P21860 2/20 0.38
DOT1L Q8TEK3 1/20 0.37
DGAT1 O75907 1/20 0.37
SOAT2 O75908 1/20 0.37
LMNA P02545 1/20 0.36
LCK P06239 2/20 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
SCHEMBL13999506 0.90 EGFR (0.41) EGFRABL1PDGFRBKITFGFR1
SCHEMBL5109292 0.90 KMT2A (0.39) KDRKMT2AAURKAAURKBDGAT1
SCHEMBL13999502 0.87 EGFR (0.42) EGFRABL1PDGFRBKITFGFR1
SCHEMBL5104786 0.86 EGFR (0.40) EGFRABL1PDGFRBKITFGFR1
SCHEMBL5108035 0.85 KDR (0.43) EGFRABL1PDGFRBKITFGFR1
SCHEMBL5113965 0.84 EGFR (0.42) EGFRABL1PDGFRBKITFGFR1
SCHEMBL5109196 0.84 EGFR (0.41) EGFRABL1PDGFRBKITFGFR1
SCHEMBL5107896 0.83 MAOA (0.45) EGFRKDRERBB3DGAT1SOAT2
SCHEMBL5109211 0.83 KDR (0.42) EGFRABL1PDGFRBKITFGFR1
SCHEMBL5108020 0.83 GCK (0.41) FGFR1BRAFKDRKMT2AKDM4E

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 EGFR 688/4885ABL1 1027/4885PDGFRB 1863/4885
US-20050187236-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 EGFR 688/4885ABL1 1027/4885PDGFRB 1863/4885
US-20070004764-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 EGFR 688/4885ABL1 1027/4885PDGFRB 1863/4885

“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.