SCHEMBL463643

SCHEMBL463643

O=C1CCN(CCN2CCOCC2)Cc2cccc(c2)Nc2cc(ncn2)Nc2ccccc2OCCCCCN1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 8/20 0.35
EGFR P00533 3/20 0.33
CCNA2 P20248 5/20 0.32
CDK2 P24941 5/20 0.32
CCNT1 O60563 3/20 0.32
CDK9 P50750 3/20 0.32
IRAK1 P51617 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
JAK2 O60674 2/20 0.31
FLT3 P36888 2/20 0.31
CCNA1 P78396 2/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
NSD2 O96028 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
SCHEMBL463813 0.91 EGFR (0.34) CHEK1EGFRCCNA2CDK2IRAK1
SCHEMBL10266930 0.88 JAK2 (0.34) EGFRCCNA2CDK2CDK9JAK2
SCHEMBL463811 0.88 JAK2 (0.38) EGFRCCNA2CDK2CDK9JAK2
SCHEMBL10258183 0.88 EGFR (0.35) CHEK1EGFRCCNA2CDK2CDK9
SCHEMBL463844 0.87 EGFR (0.34) CHEK1EGFRIRAK1IRAK4
SCHEMBL463860 0.86 EGFR (0.35) CHEK1EGFRCCNA2CDK2CDK9
SCHEMBL10258397 0.86 JAK2 (0.38) EGFRCCNA2CDK2CDK9JAK2
SCHEMBL463859 0.85 EGFR (0.35) CHEK1EGFRCCNA2CDK2IRAK1
SCHEMBL463861 0.83 IRAK1 (0.33) CHEK1EGFRIRAK1IRAK4
SCHEMBL463839 0.82 JAK2 (0.39) EGFRCCNA2CDK2CDK9JAK2

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 CHEK1 4237/4885EGFR 1090/4885CCNA2 1274/4885
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 CHEK1 4043/4885EGFR 1611/4885CCNA2 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.