SCHEMBL880169

SCHEMBL880169

CCCCOc1nc(N)nc2[nH]cnc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 16/20 0.61
CCNB1 P14635 15/20 0.61
CDK2 P24941 14/20 0.61
CCNA2 P20248 13/20 0.61
CCNA1 P78396 13/20 0.61
PIN1 Q13526 1/20 0.61
NOS1 P29475 3/20 0.43
MGMT P16455 2/20 0.37
CDC7 O00311 1/20 0.36
PLK4 O00444 1/20 0.36
CHEK1 O14757 1/20 0.36
CHUK O15111 1/20 0.36
PDPK1 O15530 1/20 0.36
DYRK3 O43781 1/20 0.36
ROCK2 O75116 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
PAK4 O96013 1/20 0.36
NTRK1 P04629 1/20 0.36
PRKCG P05129 1/20 0.36

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
SCHEMBL8830293 0.92 CDK1 (0.60) CDK1CCNB1CDK2CCNA2CCNA1
SCHEMBL8618497 0.86 CDK1 (0.44) CDK1CCNB1CDK2CCNA2CCNA1
SCHEMBL8537496 0.85 CDK1 (0.44) CDK1CCNB1CDK2CCNA2CCNA1
SCHEMBL6925964 0.84 CDK1 (0.43) CDK1CCNB1CDK2CCNA2CCNA1
SCHEMBL12227596 0.83 CDK1 (0.42) CDK1CCNB1CDK2CCNA2CCNA1
SCHEMBL15199737 0.83 CDK1 (0.44) CDK1CCNB1CDK2CCNA2CCNA1
SCHEMBL822023 0.82 CDK1 (0.44) CDK1CCNB1CDK2CCNA2CCNA1
SCHEMBL22639807 0.80 CDK1 (0.48) CDK1CCNB1CDK2CCNA2CCNA1
SCHEMBL14958629 0.79 CDK1 (0.42) CDK1CCNB1CDK2CCNA2CCNA1
Methylguanine SCHEMBL29968306 0.79 CDK1 (0.41) CDK1CCNB1CDK2CCNA2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230287418-A1 MODIFIED SIRNA WITH REDUCED OFF-TARGET ACTIVITY TUOJIE BIOTECH(SHANGHAI) CO., LTD. (CN) 2023-09-14 US disclosed
EP-2576565-B1 CARBANUCLEOSIDE SYNTHESIS AND NOVEL INTERMEDIATE COMPOUNDS USEFUL THEREIN ALPHORA RES INC (CA) 2017-08-02 EP disclosed
US-20170096441-A1 PHOSPHONATES WITH REDUCED TOXICITY FOR TREATMENT OF VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-04-06 US disclosed
EP-2488522-B1 NOVEL METHOD FOR PREPARING ENTECAVIR AND INTERMEDIATE USED THEREIN HANMI SCIENCE CO LTD (KR) 2017-02-15 EP disclosed
US-9475832-B2 Phosphonates with reduced toxicity for treatment of viral infections THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-10-25 US disclosed
US-9309249-B2 Entecavir synthesis method and intermediate compound thereof Zhejiang Ausun Pharmaceutical Co., Ltd (CN) 2016-04-12 US disclosed
US-20150080344-A1 PHOSPHONATES WITH REDUCED TOXICITY FOR TREATMENT OF VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA, A CALIFORNIA CORPORATION 2015-03-19 US disclosed
US-8846643-B2 Phosphonates with reduced toxicity for treatment of viral infections THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-09-30 US disclosed
US-8658792-B2 Carbanucleoside synthesis and novel intermediate compounds useful therein ALPHORA RESEARCH INC. 2014-02-25 US disclosed
US-20130296558-A1 PREPARATION PROCESS OF AN ANTIVIRAL DRUG (ENTECAVIR) AND INTERMEDIATES THEREOF Esteve Química, S.A. (ES) 2013-11-07 US disclosed
WO-2010074534-A2 NOVEL INTERMEDIATE AND PROCESS FOR PREPARING ENTECAVIR USING SAME HANMI PHARM. CO., LTD. (KR) 2010-07-01 WO disclosed
US-7550619-B2 Intermediates in the preparation of the antiviral agent [1S-(1α, 3α, 4β)]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxmethyl)-2-methylenecyclopentyl]-6H-purin-6-one BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 US disclosed
US-20090143578-A1 Process for Preparation of Entecavir and Novel Intermediates Thereof Via Carbon-Silicon Oxidation BRISTOL-MYERS SQUIBB COMPANY 2009-06-04 US disclosed
US-7541460-B2 Process for preparing the antiviral agent [1S-(1alpha, 3alpha, 4beta)]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)-3-methylenecyclopentyl]-6H-purin-6-one BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-02 US disclosed
US-7511139-B2 Photodesilylation, oxidation, deportection, reaction with triisopropyl orthoformate in presence of acid catalyst, further reacting acetic anhydride and acetic acid, hydrolysis with HCl to form entecavir; aniviral agent; hepatitis b BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-31 US disclosed
US-7189849-B2 Synthesis of acyclic nucleoside derivatives MEDIVIR AB (SE) 2007-03-13 US disclosed
CN-1027373-C Therapeutic nucleosides WELLCOME FOUND (GB) 1995-01-11 CN disclosed
US-5153318-A Viricides for hepatitis and human t-cell leukemia/lymphoma viruses BURROUGHS WELLCOME CO. (US) 1992-10-06 US disclosed
CN-1051180-A The nucleosides that is used for the treatment of WELLCOME FOUND (GB) 1991-05-08 CN disclosed
EP-0421739-A1 3'-azido purine nucleoside THE WELLCOME FOUNDATION LIMITED (GB) 1991-04-10 EP 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 (4 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-20170096441-A1 PHOSPHONATES WITH REDUCED TOXICITY FOR TREATMENT OF VIRAL INFECTIONS POLRMT, PNP, MTAP CDK1 1270/4885CCNB1 2227/4885CDK2 952/4885
US-20090143578-A1 Process for Preparation of Entecavir and Novel Intermediates Thereof Via Carbon-Silicon Oxidation SAMHD1, TYMP, SORD CDK1 192/4885CCNB1 351/4885CDK2 241/4885
US-20150080344-A1 PHOSPHONATES WITH REDUCED TOXICITY FOR TREATMENT OF VIRAL INFECTIONS POLRMT, PNP, MTAP CDK1 1270/4885CCNB1 2227/4885CDK2 952/4885
US-20130296558-A1 PREPARATION PROCESS OF AN ANTIVIRAL DRUG (ENTECAVIR) AND INTERMEDIATES THEREOF TYMS, TPMT, TRDMT1 CDK1 1706/4885CCNB1 2252/4885CDK2 1011/4885

“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.