SCHEMBL414841

SCHEMBL414841

O=C1C2CCCN2Cc2cccc(c2)Nc2cc(ncn2)Nc2cccc(c2)CN2CCN1CC2

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.34
ALK Q9UM73 1/20 0.31
JAK2 O60674 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
FLT3 P36888 1/20 0.30
CCNA1 P78396 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
SCHEMBL463792 0.87 PLK4 (0.41) PLK4
SCHEMBL10266892 0.85 HDAC4 (0.35) PLK4
SCHEMBL414861 0.85 HDAC4 (0.35) PLK4
SCHEMBL415955 0.82 PLK4 (0.34) PLK4
SCHEMBL415813 0.82 PLK4 (0.49) PLK4ALKJAK2CCNA2CDK2
SCHEMBL10290482 0.76 PLK4 (0.45) PLK4JAK2
SCHEMBL10258662 0.76 PLK4 (0.45) PLK4JAK2
SCHEMBL463849 0.76 PLK4 (0.42) PLK4JAK2CCNA2CDK2FLT3
SCHEMBL463789 0.72 BMPR2 (0.41) ALKJAK2CCNA2CDK2FLT3
SCHEMBL10290548 0.72 PLK4 (0.43) PLK4

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 8 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-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-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 3151/4885ALK 2550/4885JAK2 2835/4885
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 PLK4 2796/4885ALK 3597/4885JAK2 2841/4885

“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.