SCHEMBL5114586

SCHEMBL5114586

CCN(CC)CCCNC(=O)Nc1cc(N(C)c2ccc3c(ccn3C(=O)NC)c2)c(C#N)cn1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FGFR4 P22455 3/20 0.33
CSNK2A1 P68400 2/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 2/20 0.31
POLB P06746 1/20 0.31
ATM Q13315 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
GSK3B P49841 1/20 0.31
HIPK2 Q9H2X6 1/20 0.31
FGFR1 P11362 1/20 0.31
KDR P35968 1/20 0.31
MAPT P10636 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
EGFR P00533 1/20 0.30
ERBB2 P04626 1/20 0.30

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
SCHEMBL5114429 0.84 FGFR1 (0.36) FGFR4MAPK1KDM4EPOLBATM
SCHEMBL13999539 0.80 FGFR4 (0.37) FGFR4CSNK2A1CSNK2A2CSNK2BMAPK1
SCHEMBL5101308 0.77 PIK3CB (0.32) FGFR4CSNK2A1GSK3BKDR
SCHEMBL5104366 0.76 FGFR1 (0.37) FGFR4KDM4EPOLBATMFGFR1
SCHEMBL5114647 0.76 FGFR4 (0.34) FGFR4CSNK2A1CSNK2A2CSNK2BEGFR
SCHEMBL5115380 0.75 FGFR1 (0.46) FGFR4FGFR1
SCHEMBL13999450 0.74 KDR (0.48) FGFR1KDR
SCHEMBL5104414 0.73 EGFR (0.38) FGFR4CSNK2A1CSNK2A2CSNK2BKDM4E
SCHEMBL5113965 0.72 EGFR (0.42) KDM4EPOLBATMFGFR1KDR
SCHEMBL5104437 0.69 FGFR1 (0.40) FGFR4FGFR1KDR

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 FGFR4 1265/4885CSNK2A1 864/4885CSNK2A2 797/4885
US-20050187236-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 FGFR4 1265/4885CSNK2A1 864/4885CSNK2A2 797/4885
US-20070004764-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 FGFR4 1265/4885CSNK2A1 864/4885CSNK2A2 797/4885

“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.