SCHEMBL5115481

SCHEMBL5115481

O=C(Nc1cc(Nc2ccc3c(ccn3C(=O)NC3CC3)c2)ncn1)N1CCC(N2CCCCC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
MAPT P10636 2/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
FGFR1 P11362 2/20 0.37
SYK P43405 2/20 0.36
PDE7A Q13946 1/20 0.36
EGFR P00533 1/20 0.36
GLA P06280 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
BTK Q06187 1/20 0.35
AXL P30530 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
SCHEMBL5115503 0.90 FGFR1 (0.46) CYP3A4CYP2D6CYP2C19MAPTESR1
SCHEMBL13999504 0.89 CYP3A4 (0.44) CYP3A4CYP2D6CYP2C19MAPTESR1
SCHEMBL5115135 0.88 CYP3A4 (0.42) CYP3A4CYP2D6CYP2C19MAPTESR1
SCHEMBL5108785 0.87 CYP3A4 (0.41) CYP3A4CYP2D6CYP2C19MAPTESR1
SCHEMBL5102769 0.86 CYP3A4 (0.42) CYP3A4CYP2D6CYP2C19MAPTESR1
SCHEMBL5115154 0.86 CYP3A4 (0.40) CYP3A4CYP2D6CYP2C19MAPTESR1
SCHEMBL5104367 0.83 FGFR1 (0.46) CYP3A4CYP2D6CYP2C19MAPTESR1
SCHEMBL5109116 0.81 CYP3A4 (0.42) CYP3A4CYP2D6CYP2C19MAPTESR1
SCHEMBL5106149 0.81 FGFR1 (0.51) FGFR1
SCHEMBL5114869 0.80 KDR (0.41) SYKPDE7AEGFR

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 CYP3A4 143/4885CYP2D6 60/4885CYP2C19 319/4885
US-20050187236-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 CYP3A4 143/4885CYP2D6 60/4885CYP2C19 319/4885
US-20070004764-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 CYP3A4 143/4885CYP2D6 60/4885CYP2C19 319/4885

“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.