SCHEMBL5115503

SCHEMBL5115503

CNC(=O)n1ccc2cc(Nc3cc(NC(=O)N4CCC(N5CCCC5)CC4)ncn3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.46
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
ESR1 P03372 1/20 0.39
MAPT P10636 1/20 0.39
ESR2 Q92731 1/20 0.39
AXL P30530 5/20 0.38
MERTK Q12866 5/20 0.38
EGFR P00533 1/20 0.38
GSK3B P49841 3/20 0.37
DYRK1A Q13627 3/20 0.37
L3MBTL3 Q96JM7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PDE7A Q13946 1/20 0.37
KDR P35968 1/20 0.37
GLA P06280 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL5104367 0.93 FGFR1 (0.46) FGFR1CYP3A4CYP2D6CYP2C19ESR1
SCHEMBL5115135 0.91 CYP3A4 (0.42) FGFR1CYP3A4CYP2D6CYP2C19ESR1
SCHEMBL5108785 0.91 CYP3A4 (0.41) FGFR1CYP3A4CYP2D6CYP2C19ESR1
SCHEMBL13999504 0.90 CYP3A4 (0.44) FGFR1CYP3A4CYP2D6CYP2C19ESR1
SCHEMBL5102769 0.90 CYP3A4 (0.42) FGFR1CYP3A4CYP2D6CYP2C19ESR1
SCHEMBL5115481 0.90 CYP3A4 (0.44) FGFR1CYP3A4CYP2D6CYP2C19ESR1
SCHEMBL5115154 0.89 CYP3A4 (0.40) FGFR1CYP3A4CYP2D6CYP2C19ESR1
SCHEMBL5101743 0.85 KDR (0.52) FGFR1AXLMERTKKDR
SCHEMBL5109116 0.84 CYP3A4 (0.42) FGFR1CYP3A4CYP2D6CYP2C19ESR1
SCHEMBL5108398 0.84 KDM4E (0.43) MAPTESR2GSK3BDYRK1ASMN1; SMN2

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 FGFR1 595/4885CYP3A4 143/4885CYP2D6 60/4885
US-20050187236-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 FGFR1 595/4885CYP3A4 143/4885CYP2D6 60/4885
US-20070004764-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 FGFR1 595/4885CYP3A4 143/4885CYP2D6 60/4885

“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.