SCHEMBL2734705

SCHEMBL2734705

CP(=O)(O)COCCn1cnc2c(NC3CC3)nc(N)nc21

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.79
FGFR1 P11362 3/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
NR1I2 O75469 1/20 0.45
ALB P02768 1/20 0.45
PDE4D Q08499 1/20 0.45
ABCB1 P08183 5/20 0.44
POLA1 P09884 1/20 0.43
POLG P54098 1/20 0.43
CTSL P07711 2/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
CTSB P07858 1/20 0.41
ADORA3 P0DMS8 2/20 0.40
ADORA2A P29274 2/20 0.40
ADORA2B P29275 2/20 0.40
ADORA1 P30542 2/20 0.40

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
SCHEMBL2734630 0.92 POLB (0.76) POLBFGFR1SLC22A6NR1I2ALB
SCHEMBL31167327 0.92 POLB (0.82) POLBFGFR1SLC22A6NR1I2ALB
SCHEMBL1565908 0.92 POLB (0.82) POLBFGFR1SLC22A6NR1I2ALB
SCHEMBL13815862 0.87 POLB (0.87) POLBFGFR1SLC22A6NR1I2ALB
SCHEMBL14622513 0.86 POLB (0.70) POLBFGFR1SLC22A6NR1I2ALB
SCHEMBL2734775 0.86 POLB (0.70) POLBFGFR1SLC22A6NR1I2ALB
SCHEMBL13805624 0.85 POLB (0.64) POLBNR1I2ALBPDE4DABCB1
SCHEMBL2734678 0.85 POLB (0.67) POLBFGFR1SLC22A6NR1I2ALB
SCHEMBL2734798 0.85 POLB (0.76) POLBFGFR1SLC22A6NR1I2ALB
SCHEMBL10167591 0.85 POLB (0.68) POLBFGFR1SLC22A6NR1I2ALB

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 7 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-20090156545-A1 Substituted Phosphate Esters of Nucleoside Phosphonates THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2009-06-18 US disclosed
US-20090156545-A1 Substituted Phosphate Esters of Nucleoside Phosphonates THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2009-06-18 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 (3 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-20090156545-A1 Substituted Phosphate Esters of Nucleoside Phosphonates PNP, TYMP, ENPP1 POLB 204/4885FGFR1 1039/4885SLC22A6 926/4885
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.