SCHEMBL5113699

SCHEMBL5113699

CNC(=O)n1ccc2c(Oc3cc(NC(=O)N4CCC(N5CCCC5)CC4)ncn3)cccc21

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.44
AXL P30530 7/20 0.43
MERTK Q12866 7/20 0.43
LOXL2 Q9Y4K0 2/20 0.41
KDR P35968 3/20 0.40
L3MBTL3 Q96JM7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
EGFR P00533 1/20 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
SCHEMBL5108280 0.84 L3MBTL3 (0.40) FGFR1AXLMERTKL3MBTL3L3MBTL1
SCHEMBL5115219 0.84 FGFR1 (0.39) FGFR1L3MBTL3L3MBTL1SMN1; SMN2CYP3A4
SCHEMBL5116270 0.83 FGFR1 (0.51) FGFR1AXLMERTKKDR
SCHEMBL5101743 0.83 KDR (0.52) FGFR1AXLMERTKKDR
SCHEMBL6038653 0.82 RAF1 (0.40) LOXL2KDR
SCHEMBL5114217 0.78 LOXL2 (0.39) LOXL2KDR
SCHEMBL5108870 0.78 LOXL2 (0.39) LOXL2KDR
SCHEMBL5115503 0.76 FGFR1 (0.46) FGFR1AXLMERTKKDRL3MBTL3
SCHEMBL5104367 0.76 FGFR1 (0.46) FGFR1AXLMERTKL3MBTL3L3MBTL1
SCHEMBL13861188 0.75 KDR (0.51) AXLMERTKKDRCYP3A4CYP2D6

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 595/4885AXL 1641/4885MERTK 4487/4885
US-20050187236-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 FGFR1 595/4885AXL 1641/4885MERTK 4487/4885
US-20070004764-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 FGFR1 595/4885AXL 1641/4885MERTK 4487/4885

“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.