SCHEMBL2734845

SCHEMBL2734845

Nc1nc(N)c2ncn(CCOCP(=O)(O)Oc3ccccc3)c2n1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.52
FGFR1 P11362 3/20 0.52
SLC22A6 Q4U2R8 2/20 0.52
POLA1 P09884 2/20 0.48
POLG P54098 2/20 0.48
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
SERPINA3 P01011 1/20 0.42
ABCB11 O95342 1/20 0.40
FAP Q12884 1/20 0.40
ENPP1 P22413 1/20 0.39
HPRT1 P00492 3/20 0.39
TMIGD3 P0DMS9 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39

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
SCHEMBL23394748 0.88 POLB (0.49) POLBFGFR1SLC22A6POLA1POLG
SCHEMBL2734837 0.88 POLB (0.49) POLBFGFR1SLC22A6POLA1POLG
SCHEMBL18755568 0.87 FGFR1 (0.71) FGFR1SLC22A6POLA1POLGABCB11
SCHEMBL19929316 0.86 SLC22A6 (0.45) POLBFGFR1SLC22A6POLA1POLG
SCHEMBL2734798 0.84 POLB (0.76) POLBFGFR1SLC22A6POLA1POLG
Pmedap SCHEMBL215611 0.84 FGFR1 (0.72) POLBFGFR1SLC22A6POLA1POLG
Pmedap SCHEMBL29571667 0.84 FGFR1 (0.72) POLBFGFR1SLC22A6POLA1POLG
SCHEMBL19413098 0.83 POLB (0.74) POLBPOLA1POLGHPRT1
SCHEMBL2734843 0.82 POLB (0.52) POLBFGFR1SLC22A6POLA1POLG
SCHEMBL19508634 0.82 HPRT1 (0.44) CDK1CCNB1CCNE1CDK2HPRT1

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 13 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-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-8088754-B2 Anti-proliferative compounds, compositions, and methods of use thereof GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
EP-2204374-A1 Nucleoside phosphonates and analogs thereof for the treatment of HPV-infections GILEAD SCIENCES, INC. (US) 2010-07-07 EP disclosed
US-20090291922-A1 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2009-11-26 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-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
US-20090149400-A1 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2009-06-11 US disclosed
WO-2007002808-A1 ANTI-NONMELANOMA CARCINOMA COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2007-01-04 WO disclosed
WO-2007002912-A2 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2007-01-04 WO 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.