SCHEMBL463797

SCHEMBL463797

CC(C)CC1NC(=O)CN2CCN(CC2)Cc2cccc(c2)Nc2cc(ncn2)Nc2cccc(c2)CCNC1=O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BMPR2 Q13873 1/20 0.33
MCL1 Q07820 2/20 0.31
STK4 Q13043 2/20 0.31
STK3 Q13188 2/20 0.31
STK26 Q9P289 2/20 0.31
STK24 Q9Y6E0 2/20 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
SCHEMBL416051 0.86 GHSR (0.40) STK4STK3STK26STK24
SCHEMBL463779 0.86 BMPR2 (0.36) BMPR2STK4STK3STK26STK24
SCHEMBL463864 0.85 BMPR2 (0.31) BMPR2
SCHEMBL416053 0.84 JAK2 (0.37)
SCHEMBL414417 0.83 MCL1 (0.41) BMPR2MCL1
SCHEMBL463796 0.83 CCNA2 (0.33)
SCHEMBL463803 0.82 GHSR (0.39) STK4STK3
SCHEMBL463789 0.82 BMPR2 (0.41) BMPR2STK4STK3STK26STK24
SCHEMBL463772 0.78 MCL1 (0.36) MCL1
SCHEMBL414905 0.77 MCL1 (0.39) MCL1

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 BMPR2 1442/4885MCL1 1842/4885STK4 3165/4885
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 BMPR2 1474/4885MCL1 2306/4885STK4 2990/4885

“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.