SCHEMBL463859

SCHEMBL463859

CCN1CC(=O)NCCCCCOc2ccccc2Nc2cc(ncn2)Nc2cccc(c2)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.35
CHEK1 O14757 2/20 0.35
IRAK1 P51617 3/20 0.33
IRAK4 Q9NWZ3 3/20 0.33
JAK2 O60674 4/20 0.31
CCNA2 P20248 4/20 0.31
CDK2 P24941 4/20 0.31
FLT3 P36888 4/20 0.31
CCNA1 P78396 4/20 0.31
F2 P00734 2/20 0.31
PRSS1 P07477 2/20 0.31
PLAT P00750 1/20 0.31
HDAC3 O15379 3/20 0.31
HDAC4 P56524 3/20 0.31
HDAC1 Q13547 3/20 0.31
HDAC7 Q8WUI4 3/20 0.31
HDAC2 Q92769 3/20 0.31
HDAC10 Q969S8 3/20 0.31
HDAC11 Q96DB2 3/20 0.31
HDAC8 Q9BY41 3/20 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
SCHEMBL463813 0.93 EGFR (0.34) EGFRCHEK1IRAK1IRAK4JAK2
SCHEMBL463844 0.92 EGFR (0.34) EGFRCHEK1IRAK1IRAK4
SCHEMBL10258183 0.85 EGFR (0.35) EGFRCHEK1IRAK1IRAK4JAK2
SCHEMBL463643 0.85 CHEK1 (0.35) EGFRCHEK1IRAK1IRAK4JAK2
SCHEMBL463860 0.85 EGFR (0.35) EGFRCHEK1IRAK1IRAK4JAK2
SCHEMBL463861 0.80 IRAK1 (0.33) EGFRCHEK1IRAK1IRAK4
SCHEMBL463812 0.80 JAK2 (0.38) EGFRJAK2CCNA2CDK2FLT3
SCHEMBL463819 0.80 JAK2 (0.34) EGFRJAK2CCNA2CDK2FLT3
SCHEMBL463806 0.79 JAK2 (0.34) EGFRIRAK1IRAK4JAK2CCNA2
SCHEMBL10266947 0.77 JAK2 (0.39) EGFRJAK2CCNA2CDK2FLT3

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 1090/4885CHEK1 4237/4885IRAK1 3613/4885
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 EGFR 1611/4885CHEK1 4043/4885IRAK1 3581/4885

“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.