SCHEMBL463779

SCHEMBL463779

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BMPR2 Q13873 1/20 0.36
STK4 Q13043 2/20 0.33
STK3 Q13188 2/20 0.33
STK26 Q9P289 2/20 0.33
STK24 Q9Y6E0 2/20 0.33
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
FLT3 P36888 1/20 0.32
CCNA1 P78396 1/20 0.32
JAK2 O60674 3/20 0.31
JAK1 P23458 3/20 0.31
TYK2 P29597 3/20 0.31
JAK3 P52333 3/20 0.31
ALK Q9UM73 1/20 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
SCHEMBL463789 0.87 BMPR2 (0.41) BMPR2STK4STK3STK26STK24
SCHEMBL463797 0.86 BMPR2 (0.33) BMPR2STK4STK3STK26STK24
SCHEMBL416051 0.84 GHSR (0.40) STK4STK3STK26STK24
SCHEMBL463864 0.82 BMPR2 (0.31) BMPR2
SCHEMBL463863 0.76 CCNA2 (0.33) CCNA2CDK2FLT3CCNA1JAK2
SCHEMBL10290482 0.72 PLK4 (0.45) JAK2JAK1JAK3
SCHEMBL10258662 0.72 PLK4 (0.45) JAK2JAK1JAK3
SCHEMBL416053 0.71 JAK2 (0.37) CCNA2CDK2FLT3CCNA1JAK2
SCHEMBL463852 0.71 JAK2 (0.39) STK4STK3CCNA2CDK2FLT3
SCHEMBL463781 0.70 JAK2 (0.40) STK4STK3CCNA2CDK2FLT3

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 1442/4885STK4 3165/4885STK3 2244/4885
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 BMPR2 1474/4885STK4 2990/4885STK3 2007/4885

“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.