SCHEMBL10290482

SCHEMBL10290482

C[C@@H]1NC(=O)C2CCCN2Cc2cccc(c2)Nc2cc(ncn2)Nc2cccc(c2)CNC1=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.45
F7 P08709 6/20 0.31
F3 P13726 6/20 0.31
KLK1 P06870 4/20 0.31
F10 P00742 3/20 0.31
F2 P00734 2/20 0.31
F11 P03951 2/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
PROC P04070 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
JAK3 P52333 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
SCHEMBL10258662 1.00 PLK4 (0.45) PLK4F7F3KLK1F10
SCHEMBL415813 0.92 PLK4 (0.49) PLK4F7F3KLK1F10
SCHEMBL10290548 0.86 PLK4 (0.43) PLK4F2PRSS1PRSS2PRSS3
SCHEMBL463791 0.86 PLK4 (0.43) PLK4F2PRSS1PRSS2PRSS3
SCHEMBL10290789 0.85 PLK4 (0.42) PLK4
SCHEMBL463836 0.85 PLK4 (0.42) PLK4
SCHEMBL10258468 0.83 PLK4 (0.43) PLK4
SCHEMBL463792 0.81 PLK4 (0.41) PLK4
SCHEMBL463849 0.79 PLK4 (0.42) PLK4JAK2
SCHEMBL414841 0.76 PLK4 (0.34) PLK4JAK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148388-B2 2,4 (4,6) pyrimidine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2012-04-03 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 (1 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-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 PLK4 2796/4885F7 1672/4885F3 2157/4885

“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.