SCHEMBL463863

SCHEMBL463863

CCN1CCNC(=O)CN2CCN(CC2)Cc2cccc(c2)Nc2cc(ncn2)Nc2cccc(c2)C1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 4/20 0.33
CDK2 P24941 4/20 0.33
FLT3 P36888 4/20 0.33
CCNA1 P78396 4/20 0.33
PARP1 P09874 1/20 0.32
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
JAK2 O60674 3/20 0.31
LRRK2 Q5S007 1/20 0.30
THRB P10828 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
SCHEMBL463789 0.85 BMPR2 (0.41) CCNA2CDK2FLT3CCNA1JAK2
SCHEMBL463771 0.85 NUDT1 (0.37) CCNA2CDK2FLT3CCNA1JAK2
SCHEMBL413892 0.81 ALK (0.36) JAK2
SCHEMBL463849 0.79 PLK4 (0.42) CCNA2CDK2FLT3CCNA1JAK2
SCHEMBL10266947 0.78 JAK2 (0.39) CCNA2CDK2FLT3CCNA1JAK2
SCHEMBL463812 0.77 JAK2 (0.38) CCNA2CDK2FLT3CCNA1JAK2
SCHEMBL10258716 0.77 JAK2 (0.38) CCNA2CDK2FLT3CCNA1JAK2
SCHEMBL463796 0.77 CCNA2 (0.33) CCNA2CDK2FLT3CCNA1JAK2
SCHEMBL463825 0.77 CCNA2 (0.33) CCNA2CDK2FLT3CCNA1JAK2
SCHEMBL463852 0.77 JAK2 (0.39) CCNA2CDK2FLT3CCNA1JAK2

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 CCNA2 1274/4885CDK2 882/4885FLT3 2149/4885
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 CCNA2 1291/4885CDK2 901/4885FLT3 2372/4885

“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.