SCHEMBL463820

SCHEMBL463820

COc1ccc2cc1OCCCNC(=O)C1CCCCN1Cc1ccc(Cl)c(c1)Nc1cc(ncn1)N2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.35
ERBB2 P04626 4/20 0.35
FLT1 P17948 4/20 0.35
EPHA2 P29317 4/20 0.35
KDR P35968 4/20 0.35
EPHB4 P54760 4/20 0.35
GAK O14976 1/20 0.33
RIPK2 O43353 1/20 0.33
STK10 O94804 1/20 0.33
RET P07949 1/20 0.33
SRC P12931 1/20 0.33
FECH P22830 1/20 0.33
FLT4 P35916 1/20 0.33
ERBB4 Q15303 1/20 0.33
AKT3 Q9Y243 1/20 0.33
TP53 P04637 1/20 0.32
JAK2 O60674 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
FLT3 P36888 1/20 0.31

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
SCHEMBL10258378 0.86 EGFR (0.37) EGFRERBB2FLT1EPHA2KDR
SCHEMBL413775 0.85 JAK2 (0.40) EGFRERBB2FLT1EPHA2KDR
SCHEMBL463767 0.85 EGFR (0.38) EGFRGAKRIPK2STK10RET
SCHEMBL463780 0.84 EGFR (0.34) EGFR
SCHEMBL415909 0.84 EGFR (0.38) EGFRERBB2FLT1EPHA2KDR
SCHEMBL415811 0.83 FLT3 (0.40) EGFRERBB2FLT1EPHA2KDR
SCHEMBL463769 0.83 FLT3 (0.40) EGFRERBB2FLT1EPHA2KDR
SCHEMBL463808 0.81 EGFR (0.34) EGFRGAKRIPK2STK10RET
SCHEMBL414918 0.77 JAK2 (0.36) EGFRERBB2FLT1EPHA2KDR
SCHEMBL463782 0.75 FLT3 (0.36) EGFRERBB2FLT1EPHA2KDR

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 EGFR 1090/4885ERBB2 737/4885FLT1 3800/4885
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 EGFR 1611/4885ERBB2 934/4885FLT1 4018/4885

“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.