SCHEMBL5115219

SCHEMBL5115219

CNC(=O)n1ccc2c(Nc3cc(NC(=O)N4CCC(N5CCCCC5)CC4)ncn3)cccc21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.39
L3MBTL3 Q96JM7 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
ESR1 P03372 1/20 0.38
MAPT P10636 1/20 0.38
ESR2 Q92731 1/20 0.38
EGFR P00533 2/20 0.37
ERBB2 P04626 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GSK3B P49841 2/20 0.36
DYRK1A Q13627 2/20 0.36
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CCR3 P51677 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
SCHEMBL5108280 0.99 L3MBTL3 (0.40) FGFR1L3MBTL3L3MBTL1CYP2D6CYP2C19
SCHEMBL28768490 0.84 ERBB2 (0.36) CYP2C19ERBB2KDM4E
SCHEMBL5113699 0.84 FGFR1 (0.44) FGFR1L3MBTL3L3MBTL1CYP2D6CYP2C19
SCHEMBL5115503 0.82 FGFR1 (0.46) FGFR1L3MBTL3L3MBTL1CYP2D6CYP2C19
SCHEMBL5104367 0.82 FGFR1 (0.46) FGFR1L3MBTL3L3MBTL1CYP2D6CYP2C19
SCHEMBL5101427 0.76 MKNK2 (0.38)
SCHEMBL5101743 0.74 KDR (0.52) FGFR1
SCHEMBL5116270 0.74 FGFR1 (0.51) FGFR1
SCHEMBL5115135 0.74 CYP3A4 (0.42) FGFR1CYP2D6CYP2C19CYP3A4ESR1
SCHEMBL5109116 0.74 CYP3A4 (0.42) FGFR1L3MBTL3L3MBTL1CYP2D6CYP2C19

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 11 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
CN-100339376-C Nitrogen-containing aromatic ring derivatives EISAI CO LTD (JP) 2007-09-26 CN 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 FGFR1 595/4885L3MBTL3 2896/4885L3MBTL1 2633/4885
US-20050187236-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 FGFR1 595/4885L3MBTL3 2896/4885L3MBTL1 2633/4885
US-20070004764-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 FGFR1 595/4885L3MBTL3 2896/4885L3MBTL1 2633/4885

“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.