SCHEMBL463774

SCHEMBL463774

CN(C)CCCCC1NC(=O)OCc2ccc(cc2)Nc2cc(ncn2)Nc2cccc(c2)CNC1=O

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.32
JAK1 P23458 3/20 0.32
TYK2 P29597 3/20 0.32
JAK3 P52333 1/20 0.32
KLK1 P06870 6/20 0.32
F7 P08709 6/20 0.32
F3 P13726 6/20 0.32
F10 P00742 4/20 0.32
F11 P03951 3/20 0.32
PRSS1 P07477 2/20 0.32
PRSS2 P07478 2/20 0.32
PRSS3 P35030 2/20 0.32
F2 P00734 2/20 0.31
CCNA2 P20248 2/20 0.30
CDK2 P24941 2/20 0.30
FLT3 P36888 2/20 0.30
CCNA1 P78396 2/20 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
SCHEMBL10266896 0.88 F7 (0.33) JAK2JAK1TYK2JAK3F7
SCHEMBL463802 0.82 GHSR (0.38) JAK2JAK1TYK2CCNA2CDK2
SCHEMBL10258468 0.78 PLK4 (0.43)
SCHEMBL414903 0.76 MCL1 (0.30)
SCHEMBL463794 0.72
SCHEMBL463786 0.72 MCL1 (0.37) JAK2JAK1TYK2JAK3KLK1
SCHEMBL414407 0.71 CCNA2 (0.31) CCNA2CDK2FLT3CCNA1
SCHEMBL15338773 0.71
SCHEMBL463787 0.69 JAK2 (0.34) JAK2CCNA2CDK2FLT3CCNA1
SCHEMBL463851 0.69 PLK4 (0.36)

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-8394955-B2 2,4 (4,6) pyrimidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2013-03-12 US disclosed
US-20120065395-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES FREYNE EDDY JEAN EDGARD (BE) 2012-03-15 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-20120065395-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR0B1, NR1H3, NCOA3 JAK2 2835/4885JAK1 2671/4885TYK2 1597/4885

“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.