SCHEMBL414296

SCHEMBL414296

CCN(CC(=O)O)Cc1cc(Nc2cc(Nc3ccc(OC)c(OCCN)c3)ncn2)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.42
KDR P35968 7/20 0.42
FGFR1 P11362 2/20 0.42
ABL1 P00519 1/20 0.42
PDGFRB P09619 1/20 0.42
KIT P10721 1/20 0.42
SRC P12931 1/20 0.42
BRAF P15056 1/20 0.42
EPHB4 P54760 1/20 0.42
TEK Q02763 1/20 0.42
FGFR3 P22607 1/20 0.38
KMO O15229 1/20 0.37
ERBB3 P21860 2/20 0.37
LCK P06239 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL415727 0.91 KDR (0.42) EGFRKDRFGFR1ABL1PDGFRB
SCHEMBL463793 0.83 EGFR (0.43) EGFRFGFR3ERBB3
SCHEMBL10258573 0.80 FGFR3 (0.41) EGFRFGFR3
SCHEMBL463785 0.78 KDR (0.40) EGFRKDRFGFR1ABL1PDGFRB
SCHEMBL463788 0.70 SUV39H2 (0.40) EGFRKDREPHB4FGFR3
SCHEMBL415816 0.68 RET (0.47) EGFRKDRFGFR1BRAFEPHB4
SCHEMBL10266876 0.67 MAPT (0.38) EGFRKDREPHB4FGFR3
SCHEMBL13215013 0.67 EGFR (0.44) EGFRKDRBRAFLCKSMN1; SMN2
SCHEMBL463764 0.67 AXL (0.38) EGFRKDREPHB4FGFR3
SCHEMBL7777464 0.66 EGFR (0.61) EGFRKDRPDGFRBBRAFEPHB4

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 8 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-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-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 EGFR 1090/4885KDR 2587/4885FGFR1 870/4885
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 EGFR 1611/4885KDR 2891/4885FGFR1 950/4885

“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.