SCHEMBL5113936

SCHEMBL5113936

CCN(CC)CCCNC(=O)Nc1cc(Nc2cccc3c2ccn3C(=O)NC)ncn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.40
ABL1 P00519 2/20 0.40
SRC P12931 2/20 0.40
KDR P35968 2/20 0.40
PDGFRB P09619 1/20 0.40
KIT P10721 1/20 0.40
FGFR1 P11362 1/20 0.40
BRAF P15056 1/20 0.40
EPHB4 P54760 1/20 0.40
TEK Q02763 1/20 0.40
ERBB2 P04626 2/20 0.39
RAD52 P43351 1/20 0.38
KDM4E B2RXH2 5/20 0.37
POLB P06746 1/20 0.37
ATM Q13315 1/20 0.37
MAPK14 Q16539 1/20 0.37
PRKCA P17252 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
RET P07949 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
SCHEMBL5104401 0.91 EGFR (0.40) EGFRABL1SRCKDRPDGFRB
SCHEMBL5101391 0.85 EGFR (0.41) EGFRABL1SRCKDRPDGFRB
SCHEMBL5113965 0.83 EGFR (0.42) EGFRABL1SRCKDRPDGFRB
SCHEMBL5108477 0.79 MCHR1 (0.37) EGFRABL1SRCKDRPDGFRB
SCHEMBL5113789 0.76 EGFR (0.42) EGFRABL1SRCKDRPDGFRB
SCHEMBL5101427 0.76 MKNK2 (0.38) SRCKDRMAPK14LCKINSR
SCHEMBL5109211 0.76 KDR (0.42) EGFRABL1SRCKDRPDGFRB
SCHEMBL5104786 0.75 EGFR (0.40) EGFRABL1SRCKDRPDGFRB
SCHEMBL13999450 0.75 KDR (0.48) KDRFGFR1
SCHEMBL5104366 0.75 FGFR1 (0.37) FGFR1KDM4EPOLBATMTP53

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 EGFR 688/4885ABL1 1027/4885SRC 2353/4885
US-20050187236-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 EGFR 688/4885ABL1 1027/4885SRC 2353/4885
US-20070004764-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 EGFR 688/4885ABL1 1027/4885SRC 2353/4885

“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.