SCHEMBL2734580

SCHEMBL2734580

CN(C)c1nc(N)nc2c1ncn2CCOCP(C)(C)=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.47
FGFR1 P11362 3/20 0.46
SLC22A6 Q4U2R8 2/20 0.46
POLA1 P09884 2/20 0.43
POLG P54098 2/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPK1 P28482 1/20 0.41
HPRT1 P00492 4/20 0.41
ABCB11 O95342 1/20 0.39
FAP Q12884 1/20 0.39
CDK1 P06493 2/20 0.39
CCNB1 P14635 2/20 0.39
CCNE1 P24864 2/20 0.39
CDK2 P24941 2/20 0.39
CYP2C19 P33261 1/20 0.37
TLR9 Q9NR96 1/20 0.36
TLR7 Q9NYK1 1/20 0.36

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
SCHEMBL2734838 0.90 FGFR1 (0.58) POLBFGFR1SLC22A6POLA1POLG
SCHEMBL2606890 0.85 POLB (0.49) POLBFGFR1SLC22A6POLA1POLG
SCHEMBL2734837 0.82 POLB (0.49) POLBFGFR1SLC22A6POLA1POLG
SCHEMBL3328244 0.80 FGFR1 (0.57) POLBFGFR1SLC22A6POLA1POLG
SCHEMBL2734630 0.78 POLB (0.76) POLBFGFR1SLC22A6POLA1POLG
SCHEMBL2734839 0.77 POLB (0.42) POLBFGFR1SLC22A6POLA1POLG
SCHEMBL2734810 0.77 FGFR1 (0.59) POLBFGFR1SLC22A6POLA1POLG
SCHEMBL2734886 0.77 POLB (0.52) POLBFGFR1SLC22A6POLA1POLG
SCHEMBL2734887 0.76 KDM4E (0.51) POLBFGFR1SLC22A6POLA1POLG
SCHEMBL7896369 0.76 PDE4A (0.39) POLBFGFR1SLC22A6POLA1POLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268802-B2 Anti-proliferative compounds, compositions, and methods of use thereof GILEAD SCIENCES, INC. (US) 2012-09-18 US disclosed
US-8088754-B2 Anti-proliferative compounds, compositions, and methods of use thereof GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20090291922-A1 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2009-11-26 US disclosed
US-7553825-B2 Anti-proliferative compounds, compositions, and methods of use thereof GILEAD SCIENCES, INC. (US) 2009-06-30 US disclosed
US-20090149400-A1 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2009-06-11 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-20090149400-A1 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF CCNY, CCNO, CCNB3 POLB 82/4885FGFR1 1503/4885SLC22A6 3330/4885
US-20090291922-A1 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF CCNY, CCNO, CCNB3 POLB 82/4885FGFR1 1503/4885SLC22A6 3330/4885

“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.