SCHEMBL463845

SCHEMBL463845

CCN1CCNC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)C2CCCN2Cc2cccc(c2)Nc2cc(ncn2)Nc2cccc(c2)C1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.36
LDLR P01130 2/20 0.34
PCSK9 Q8NBP7 2/20 0.34
HDAC8 Q9BY41 2/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
GHSR Q92847 1/20 0.33
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
HRH3 Q9Y5N1 2/20 0.32

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
SCHEMBL463849 0.87 PLK4 (0.42) PLK4
SCHEMBL463807 0.85 GHSR (0.39) PLK4GHSR
SCHEMBL463851 0.83 PLK4 (0.36) PLK4HDAC8HDAC4HDAC1HDAC6
SCHEMBL463799 0.77 GHSR (0.36) GHSRHRH3
SCHEMBL10290548 0.75 PLK4 (0.43) PLK4HDAC4HDAC1HDAC6GHSR
SCHEMBL463791 0.75 PLK4 (0.43) PLK4HDAC4HDAC1HDAC6GHSR
SCHEMBL463825 0.75 CCNA2 (0.33) GHSR
SCHEMBL463768 0.74 GHSR (0.40) PLK4GHSR
SCHEMBL10290789 0.74 PLK4 (0.42) PLK4HDAC8HDAC4HDAC1HDAC6
SCHEMBL463836 0.74 PLK4 (0.42) PLK4HDAC8HDAC4HDAC1HDAC6

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 PLK4 3151/4885LDLR 107/4885PCSK9 2372/4885
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 PLK4 2796/4885LDLR 87/4885PCSK9 2300/4885

“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.