Sugi Predict

Sugi Predict / Compounds / SCHEMBL415813

SCHEMBL415813

SCHEMBL415813

O=C1NCc2cccc(c2)Nc2cc(ncn2)Nc2cccc(c2)CN2CCCC12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK4 O00444 1/20 0.49
▸ KDM4E B2RXH2 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ JAK2 O60674 5/20 0.33
▸ JAK1 P23458 4/20 0.33
▸ JAK3 P52333 4/20 0.33
▸ F7 P08709 9/20 0.33
▸ F3 P13726 9/20 0.33
▸ KLK1 P06870 5/20 0.33
▸ PROC P04070 1/20 0.33
▸ CCNA2 P20248 2/20 0.33
▸ CDK2 P24941 2/20 0.33
▸ FLT3 P36888 2/20 0.33
▸ CCNA1 P78396 2/20 0.33
▸ MAPT P10636 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL10258662 0.92 PLK4 (0.45) PLK4JAK2JAK1JAK3F7
SCHEMBL10290482 0.92 PLK4 (0.45) PLK4JAK2JAK1JAK3F7
SCHEMBL463792 0.89 PLK4 (0.41) PLK4KDM4EALDH1A1
SCHEMBL463791 0.87 PLK4 (0.43) PLK4PRSS1PRSS2PRSS3F2
SCHEMBL10290548 0.87 PLK4 (0.43) PLK4PRSS1PRSS2PRSS3F2
SCHEMBL463836 0.85 PLK4 (0.42) PLK4KDM4EALDH1A1MAPT
SCHEMBL10290789 0.85 PLK4 (0.42) PLK4KDM4EALDH1A1MAPT
SCHEMBL463849 0.85 PLK4 (0.42) PLK4KDM4EALDH1A1JAK2CCNA2
SCHEMBL10258468 0.83 PLK4 (0.43) PLK4
SCHEMBL414841 0.82 PLK4 (0.34) PLK4JAK2CCNA2CDK2FLT3

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 3151/4885KDM4E 3842/4885ALDH1A1 1457/4885
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 PLK4 2796/4885KDM4E 3986/4885ALDH1A1 1741/4885

“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.