Sugi Predict

Sugi Predict / Compounds / SCHEMBL5115927

SCHEMBL5115927

SCHEMBL5115927

CCN(CC)CCCC(=O)Nc1cc(Nc2ccc3c(ccn3C(=O)N(C)C)c2)ncn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 12/20 0.43
▸ ERBB3 P21860 7/20 0.43
▸ ABL1 P00519 1/20 0.40
▸ PDGFRB P09619 1/20 0.40
▸ KIT P10721 1/20 0.40
▸ FGFR1 P11362 1/20 0.40
▸ SRC P12931 1/20 0.40
▸ BRAF P15056 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ EPHB4 P54760 1/20 0.40
▸ TEK Q02763 1/20 0.40
▸ TERT O14746 1/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ LCK P06239 5/20 0.36
▸ KCNQ3 O43525 1/20 0.35
▸ KCNQ2 O43526 1/20 0.35
▸ KCNQ4 P56696 1/20 0.35
▸ KCNQ5 Q9NR82 1/20 0.35

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
SCHEMBL5113529 0.89 EGFR (0.41) EGFRERBB3ABL1PDGFRBKIT
SCHEMBL13999502 0.88 EGFR (0.42) EGFRABL1PDGFRBKITFGFR1
SCHEMBL5113548 0.87 EGFR (0.41) EGFRERBB3ABL1PDGFRBKIT
SCHEMBL14601159 0.80 EGFR (0.43) EGFRERBB3ABL1PDGFRBKIT
SCHEMBL13999506 0.77 EGFR (0.41) EGFRABL1PDGFRBKITFGFR1
SCHEMBL5108035 0.77 KDR (0.43) EGFRERBB3ABL1PDGFRBKIT
SCHEMBL5113789 0.75 EGFR (0.42) EGFRERBB3ABL1PDGFRBKIT
SCHEMBL5115932 0.74 EGFR (0.44) EGFRERBB3ABL1PDGFRBKIT
SCHEMBL5113948 0.74 MAOA (0.46) EGFRERBB3ABL1PDGFRBKIT
SCHEMBL5115095 0.72 PIK3CA (0.45) EGFRERBB3

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 6 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-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 688/4885ERBB3 779/4885ABL1 1027/4885
US-20050187236-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 EGFR 688/4885ERBB3 779/4885ABL1 1027/4885
US-20070004764-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 EGFR 688/4885ERBB3 779/4885ABL1 1027/4885

“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.