SCHEMBL217726

SCHEMBL217726

Nc1nc(C2CC2)c2ncn(CCOCP)c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.45
TLR9 Q9NR96 4/20 0.40
TLR7 Q9NYK1 4/20 0.40
CCNE1 P24864 4/20 0.38
CDK2 P24941 4/20 0.38
CDK1 P06493 3/20 0.38
CCNB1 P14635 3/20 0.38
FGFR1 P11362 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
CYP2C19 P33261 2/20 0.34
POLA1 P09884 1/20 0.34
POLG P54098 1/20 0.34
HPRT1 P00492 1/20 0.34
MGMT P16455 1/20 0.34
HRH4 Q9H3N8 1/20 0.33
ADORA2A P29274 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL217725 0.83 FGFR1 (0.57) POLBFGFR1SLC22A6POLA1POLG
SCHEMBL215612 0.82 CDK1 (0.57) POLBTLR9TLR7CCNE1CDK2
SCHEMBL385552 0.80 HSP90AB1 (0.49)
SCHEMBL7591540 0.73 SLC29A1 (0.63) POLBTLR9TLR7CCNE1CDK2
SCHEMBL7769665 0.72 CYP1A2 (0.47) POLBCCNE1CDK2CDK1CCNB1
SCHEMBL1337883 0.71 MAP3K12 (0.35) TLR9TLR7CCNE1CDK2CDK1
SCHEMBL3852270 0.71 KDM4E (0.50) POLBTLR9TLR7CCNE1CDK2
SCHEMBL214935 0.70 POLB (0.65) POLBPOLA1POLGHPRT1CYP3A4
SCHEMBL382916 0.70 FGFR1 (0.66) FGFR1SLC22A6ADORA2A
SCHEMBL27395069 0.70 MAP3K12 (0.35) CCNE1CDK2CDK1CCNB1

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-8088754-B2 Anti-proliferative compounds, compositions, and methods of use thereof GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
EP-1716162-B1 PHOSPHONATES, MONOPHOSPHONAMIDATES, BISPHOSPHONAMIDATES FOR THE TREATMENT OF VIRAL DISEASES GILEAD SCIENCES INC (US) 2010-08-18 EP 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-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
WO-2007002912-A2 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2007-01-04 WO disclosed
EP-1716162-A1 PHOSPHONATES, MONOPHOSPHONAMIDATES, BISPHOSPHONAMIDATES FOR THE TREATMENT OF VIRAL DISEASES GILEAD SCIENCES, INC. (US) 2006-11-02 EP disclosed
US-20060046981-A1 Anti-nonmelanoma carcinoma compounds, compositions, and methods of use thereof GILEAD SCIENCES, INC. 2006-03-02 US disclosed
US-20060030545-A1 Anti-proliferative compounds, compositions, and methods of use thereof GILEAD SCIENCES, INC. 2006-02-09 US disclosed
US-20050222090-A1 Anti-proliferative compounds, compositions, and methods of use thereof GILEAD SCIENCES, INC. 2005-10-06 US disclosed
WO-2005066189-A1 PHOSPHONATES, MONOPHOSPHONAMIDATES, BISPHOSPHONAMIDATES FOR THE TREATMENT OF VIRAL DISEASES GILEAD SCIENCES, INC. (US) 2005-07-21 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 (5 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-20050222090-A1 Anti-proliferative compounds, compositions, and methods of use thereof CCNY, CCNO, CCNB3 POLB 88/4885TLR9 1965/4885TLR7 1942/4885
US-20060046981-A1 Anti-nonmelanoma carcinoma compounds, compositions, and methods of use thereof HCCS, RCOR3, MSRB3 POLB 507/4885TLR9 3046/4885TLR7 3285/4885
US-20090149400-A1 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF CCNY, CCNO, CCNB3 POLB 82/4885TLR9 2050/4885TLR7 1875/4885
US-20090291922-A1 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF CCNY, CCNO, CCNB3 POLB 82/4885TLR9 2050/4885TLR7 1875/4885
US-20060030545-A1 Anti-proliferative compounds, compositions, and methods of use thereof CCNY, CCNO, CCNB3 POLB 101/4885TLR9 1841/4885TLR7 1772/4885

“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.