SCHEMBL463785

SCHEMBL463785

CCOC(=O)CN(CC)Cc1cc(Nc2cc(Nc3ccc(OC)c(OCCNC(=O)OC(C)(C)C)c3)ncn2)ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.40
MKNK2 Q9HBH9 1/20 0.39
EGFR P00533 9/20 0.37
ABL1 P00519 1/20 0.37
PDGFRB P09619 1/20 0.37
KIT P10721 1/20 0.37
FGFR1 P11362 1/20 0.37
SRC P12931 1/20 0.37
BRAF P15056 1/20 0.37
EPHB4 P54760 1/20 0.37
TEK Q02763 1/20 0.37
ERBB2 P04626 1/20 0.36
ERBB3 P21860 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
SCHEMBL415727 0.86 KDR (0.42) KDREGFRABL1PDGFRBKIT
SCHEMBL463788 0.85 SUV39H2 (0.40) KDRMKNK2EGFREPHB4ERBB2
SCHEMBL10266876 0.82 MAPT (0.38) KDREGFREPHB4ERBB2
SCHEMBL463764 0.81 AXL (0.38) KDRMKNK2EGFREPHB4ERBB2
SCHEMBL414296 0.78 EGFR (0.42) KDREGFRABL1PDGFRBKIT
SCHEMBL13215009 0.68 EGFR (0.39) EGFRERBB2
SCHEMBL10258573 0.67 FGFR3 (0.41) EGFRERBB2
SCHEMBL463793 0.66 EGFR (0.43) EGFRERBB2ERBB3
SCHEMBL21601499 0.64 IDO1 (0.52)
SCHEMBL7449161 0.64 CA12 (0.50)

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394955-B2 2,4 (4,6) pyrimidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2013-03-12 US disclosed
US-8148388-B2 2,4 (4,6) pyrimidine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2012-04-03 US disclosed
US-8148388-B2 2,4 (4,6) pyrimidine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2012-04-03 US disclosed
US-20120065395-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES FREYNE EDDY JEAN EDGARD (BE) 2012-03-15 US disclosed
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-24 US disclosed
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-24 US 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 (2 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-20120065395-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR0B1, NR1H3, NCOA3 KDR 2587/4885MKNK2 3247/4885EGFR 1090/4885
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 KDR 2891/4885MKNK2 2821/4885EGFR 1611/4885

“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.