SCHEMBL463767

SCHEMBL463767

COc1ccc2cc1OCCCCNC(=O)C1CCN(CC1)Cc1ccc(Cl)c(c1)Nc1cc(ncn1)N2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.38
JAK2 O60674 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
FLT3 P36888 1/20 0.32
CCNA1 P78396 1/20 0.32
GAK O14976 1/20 0.32
RIPK2 O43353 1/20 0.32
STK10 O94804 1/20 0.32
RET P07949 1/20 0.32
SRC P12931 1/20 0.32
FECH P22830 1/20 0.32
FLT4 P35916 1/20 0.32
ERBB4 Q15303 1/20 0.32
AKT3 Q9Y243 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
TP53 P04637 1/20 0.31
ALK Q9UM73 1/20 0.30
LRRK2 Q5S007 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
SCHEMBL463780 0.88 EGFR (0.34) EGFR
SCHEMBL463820 0.85 EGFR (0.35) EGFRJAK2CCNA2CDK2FLT3
SCHEMBL10258270 0.84 EGFR (0.39) EGFRJAK2CCNA2CDK2FLT3
SCHEMBL463808 0.83 EGFR (0.34) EGFRJAK2CCNA2CDK2FLT3
SCHEMBL463847 0.75 JAK2 (0.33) EGFRJAK2CCNA2CDK2FLT3
SCHEMBL415981 0.75 FLT3 (0.38) EGFRJAK2CCNA2CDK2FLT3
SCHEMBL415909 0.74 EGFR (0.38) EGFRGAKRIPK2STK10RET
SCHEMBL10258592 0.74 EGFR (0.38) EGFRFLT3GAKRIPK2STK10
SCHEMBL463810 0.74 EGFR (0.36) EGFRFLT3
SCHEMBL10258378 0.74 EGFR (0.37) EGFRGAKRIPK2STK10RET

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 5 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-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 1090/4885JAK2 2835/4885CCNA2 1274/4885
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 EGFR 1611/4885JAK2 2841/4885CCNA2 1291/4885

“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.