Sugi Predict

Sugi Predict / Compounds / SCHEMBL17601915

SCHEMBL17601915

SCHEMBL17601915

COc1nc(N)nc2c1ncn2C(C)OCP(=O)(O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.43
▸ HPRT1 P00492 6/20 0.42
▸ CDK1 P06493 3/20 0.41
▸ CDK2 P24941 3/20 0.41
▸ CCNB1 P14635 2/20 0.41
▸ CCNE1 P24864 2/20 0.41
▸ HSP90AA1 P07900 1/20 0.39
▸ HSP90AB1 P08238 1/20 0.39
▸ PRKACA P17612 1/20 0.37
▸ CCNA2 P20248 1/20 0.37
▸ PRKACG P22612 1/20 0.37
▸ PRKACB P22694 1/20 0.37
▸ MAPK3 P27361 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CCNA1 P78396 1/20 0.37
▸ HDAC1 Q13547 2/20 0.35
▸ HDAC2 Q92769 2/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ FGFR1 P11362 1/20 0.34
▸ SLC22A6 Q4U2R8 1/20 0.34

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
SCHEMBL385550 0.86 CYP3A4 (0.45) CYP3A4HPRT1CDK1CDK2CCNB1
SCHEMBL17599288 0.80 HPRT1 (0.38) CYP3A4HPRT1CDK1CDK2CCNB1
SCHEMBL16812182 0.78 HPRT1 (0.52) CYP3A4HPRT1CDK2CCNE1HSP90AA1
SCHEMBL14669224 0.78 HPRT1 (0.47) CYP3A4HPRT1HSP90AA1HSP90AB1FGFR1
SCHEMBL14669068 0.78 HPRT1 (0.47) CYP3A4HPRT1HSP90AA1HSP90AB1FGFR1
SCHEMBL14669193 0.78 HPRT1 (0.47) CYP3A4HPRT1HSP90AA1HSP90AB1FGFR1
SCHEMBL12451372 0.77 CDK1 (0.67) CDK1CDK2CCNB1CCNE1HSP90AA1
SCHEMBL886938 0.76 CYP3A4 (0.67) CYP3A4FGFR1SLC22A6
SCHEMBL13468190 0.75 ADORA2A (0.52) CDK1CDK2CCNB1CCNE1HSP90AA1
SCHEMBL1567494 0.75 FGFR1 (0.60) HPRT1HSP90AA1HSP90AB1FGFR1SLC22A6

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111808136-B Nucleotide analogues 加利福尼亚大学董事会 2024-06-11 — — CN disclosed
US-11572377-B2 Nucleotide analogs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-02-07 — — US disclosed
US-20220395510-A1 Nucleotide Analogs THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS, OFFICE OF THE GENERAL COUNSEL (024) 2022-12-15 — — US disclosed
US-11344555-B2 Nucleotide analogs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-05-31 — — US disclosed
EP-3194411-B1 NUCLEOTIDE ANALOGS UNIV CALIFORNIA (US) 2022-05-04 — — EP disclosed
US-20220072004-A1 Nucleotide Analogs THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2022-03-10 — — US disclosed
EP-3350191-B9 NUCLEOTIDE ANALOGS UNIV CALIFORNIA (US) 2021-12-22 — — EP disclosed
EP-3875462-A1 NUCLEOTIDE ANALOGS The Regents of The University of California (US) 2021-09-08 — — EP disclosed
US-20210246153-A1 Nucleotide Analogs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-08-12 — — US disclosed
CN-112898345-A Nucleotide analogs 加利福尼亚大学董事会 2021-06-04 — — CN disclosed
US-20180362561-A1 NUCLEOTIDE ANALOGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-12-20 — — US disclosed
EP-3350191-A1 NUCLEOTIDE ANALOGS The Regents of the University of California (US) 2018-07-25 — — EP disclosed
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
EP-3194411-A1 NUCLEOTIDE ANALOGS The Regents of the University of California (US) 2017-07-26 — — EP disclosed
WO-2017048956-A1 NUCLEOTIDE ANALOGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-03-23 — — WO 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
WO-2016044281-A1 NUCLEOTIDE ANALOGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-03-24 — — 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 (9 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-20180362561-A1 NUCLEOTIDE ANALOGS NUDT1, DUT, DPYD CYP3A4 3875/4885HPRT1 52/4885CDK1 1675/4885
US-11572377-B2 Nucleotide analogs NUDT1, DUT, DPYD CYP3A4 3875/4885HPRT1 52/4885CDK1 1675/4885
US-20180015095-A1 NUCLEOTIDE ANALOGS NUDT1, DUT, DPYD CYP3A4 3875/4885HPRT1 52/4885CDK1 1675/4885
US-20220395510-A1 Nucleotide Analogs NUDT1, DUT, DPYD CYP3A4 3875/4885HPRT1 52/4885CDK1 1675/4885
US-20220072004-A1 Nucleotide Analogs NUDT1, DUT, DPYD CYP3A4 3875/4885HPRT1 52/4885CDK1 1675/4885
US-20160083407-A1 NUCLEOTIDE ANALOGS NUDT1, DUT, DPYD CYP3A4 3875/4885HPRT1 52/4885CDK1 1675/4885
US-11344555-B2 Nucleotide analogs NUDT1, DUT, DPYD CYP3A4 3875/4885HPRT1 52/4885CDK1 1675/4885
US-20170037068-A1 NUCLEOTIDE ANALOGS NUDT1, DUT, DPYD CYP3A4 3875/4885HPRT1 52/4885CDK1 1675/4885
US-20210246153-A1 Nucleotide Analogs NUDT1, DUT, DPYD CYP3A4 3875/4885HPRT1 52/4885CDK1 1675/4885

“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.