SCHEMBL2606971

SCHEMBL2606971

CC(C)OP(=O)(COCCn1cnc2c(Cl)nc(N)nc21)OC(C)C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 12/20 0.47
HSP90AA1 P07900 11/20 0.47
POLB P06746 4/20 0.46
SLC22A6 Q4U2R8 2/20 0.44
FGFR1 P11362 1/20 0.44
HSP90B1 P14625 1/20 0.42
TRAP1 Q12931 1/20 0.42
POLA1 P09884 2/20 0.42
POLG P54098 2/20 0.42
ABCB11 O95342 1/20 0.42
FAP Q12884 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL14244162 0.89 HSP90AB1 (0.46) HSP90AB1HSP90AA1POLBSLC22A6FGFR1
SCHEMBL17617662 0.87 POLB (0.44) HSP90AB1HSP90AA1POLBSLC22A6FGFR1
SCHEMBL8400863 0.86 SLC22A6 (0.47) HSP90AB1HSP90AA1POLBSLC22A6FGFR1
SCHEMBL14621498 0.85 SLC22A6 (0.46) HSP90AB1HSP90AA1POLBSLC22A6FGFR1
SCHEMBL8400861 0.84 HSP90AB1 (0.45) HSP90AB1HSP90AA1POLBSLC22A6FGFR1
SCHEMBL24790410 0.84 NR3C1 (0.36) HSP90AB1HSP90AA1POLBSLC22A6FGFR1
SCHEMBL13715024 0.83 HSP90AB1 (0.44) HSP90AB1HSP90AA1HSP90B1TRAP1HDAC4
SCHEMBL15531962 0.83 HPRT1 (0.43) HSP90AB1HSP90AA1
SCHEMBL1566036 0.83 FGFR1 (0.63) HSP90AB1HSP90AA1POLBSLC22A6FGFR1
SCHEMBL30759944 0.83 FGFR1 (0.63) HSP90AB1HSP90AA1POLBSLC22A6FGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180015095-A1 NUCLEOTIDE ANALOGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-01-18 US disclosed
US-9801884-B2 Nucleotide analogs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-10-31 US disclosed
US-20170037068-A1 NUCLEOTIDE ANALOGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-02-09 US disclosed
US-9493493-B2 Nucleotide analogs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-11-15 US disclosed
US-20160083407-A1 NUCLEOTIDE ANALOGS THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2016-03-24 US disclosed
US-8268802-B2 Anti-proliferative compounds, compositions, and methods of use thereof GILEAD SCIENCES, INC. (US) 2012-09-18 US disclosed
US-8163718-B2 Nucleoside analogues containing phosphonate or phosphonamide groups GILEAD SCIENCES, INC. (US) 2012-04-24 US disclosed
US-8163718-B2 Nucleoside analogues containing phosphonate or phosphonamide groups GILEAD SCIENCES, INC. (US) 2012-04-24 US disclosed
EP-2308885-A2 Novel compounds and methods for therapy Gilead Sciences, Inc. (US) 2011-04-13 EP disclosed
US-20090232768-A1 NOVEL COMPOUNDS AND METHODS FOR THERAPY GILEAD SCIENCES, INC. (US) 2009-09-17 US disclosed
US-20090232768-A1 NOVEL COMPOUNDS AND METHODS FOR THERAPY GILEAD SCIENCES, INC. (US) 2009-09-17 US disclosed
WO-2009105513-A2 NOVEL COMPOUNDS AND METHODS FOR THERAPY GILEAD SCIENCES, INC. (US) 2009-08-27 WO disclosed
US-6767900-B2 VIRICIDES AGAINST HERPES, HUMAN IMMUNODEFICIENCY, HEPATITIS, CYTOMEGALO AND VARICELLA- ZOSTER VIRUSES MITSUBISHI PHARMA CORPORATION (JP) 2004-07-27 US disclosed
US-20030153534-A1 Phosphonate nucleotide compound MITSUBISHI PHARMA CORPORATION (JP) 2003-08-14 US disclosed
WO-2003028737-A1 ANTI-VIRAL AGENTS AND IN-VITRO METHOD FOR THE IDENTIFICATION OF CANDIDATES ABLE TO INHIBIT BINDING OF POLYMERASE TO EPSILON MITSUBISHI PHARMA CORPORATION (JP) 2003-04-10 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-20180015095-A1 NUCLEOTIDE ANALOGS NUDT1, DUT, DPYD HSP90AB1 2370/4885HSP90AA1 2377/4885POLB 29/4885
US-20160083407-A1 NUCLEOTIDE ANALOGS NUDT1, DUT, DPYD HSP90AB1 2370/4885HSP90AA1 2377/4885POLB 29/4885
US-20170037068-A1 NUCLEOTIDE ANALOGS NUDT1, DUT, DPYD HSP90AB1 2370/4885HSP90AA1 2377/4885POLB 29/4885
US-20090232768-A1 NOVEL COMPOUNDS AND METHODS FOR THERAPY TP53, ZC3HAV1, ZFX HSP90AB1 1776/4885HSP90AA1 2588/4885POLB 501/4885
US-20030153534-A1 Phosphonate nucleotide compound TYMP, PNP, MTAP HSP90AB1 4330/4885HSP90AA1 4340/4885POLB 152/4885

“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.