Sugi Predict

Sugi Predict / Compounds / SCHEMBL891817

SCHEMBL891817

SCHEMBL891817

Nc1nc2c(ncn2OC=O)c(=O)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 8/20 0.52
▸ PNP P00491 3/20 0.51
▸ BLM P54132 2/20 0.51
▸ USP2 O75604 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ EDNRA P25101 1/20 0.51
▸ HTR2A P28223 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ HBB P68871 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ TK1 P04183 2/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ VCP P55072 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ HIF1A Q16665 1/20 0.49

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
SCHEMBL27337612 0.87 XDH (0.52) XDHPNPBLMUSP2TSHR
SCHEMBL28026660 0.83 XDH (0.58) XDHPNPBLMUSP2TSHR
SCHEMBL11893990 0.81 XDH (0.51) XDHPNPBLMUSP2TSHR
SCHEMBL5791137 0.81 PNP (0.53) XDHPNPBLMUSP2TSHR
SCHEMBL5372465 0.79 PNP (0.51) XDHPNPBLMUSP2TSHR
Water SCHEMBL9697724 0.79 XDH (0.50) XDHPNPBLMUSP2TSHR
SCHEMBL15643286 0.79 MEN1 (0.58) XDHPNPBLMUSP2TSHR
SCHEMBL28840727 0.78 XDH (0.50) XDHPNPBLMUSP2TSHR
SCHEMBL663747 0.78 HPRT1 (0.55) PNPBLMUSP2TSHREDNRA
SCHEMBL8781788 0.78 PNP (0.64) XDHPNPBLMUSP2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111646994-B Preparation method and application of 2, 4-diamino-6-hydroxy-5-formamido pyrimidine 潍坊奥通药业有限公司 2023-04-18 — — CN claimed
CN-111646994-A Preparation method and application of 2, 4-diamino-6-hydroxy-5-formamido pyrimidine 潍坊奥通药业有限公司 2020-09-11 — — CN claimed
CN-105992634-A Selective modification of polymer subunits to improve nanopore-based assays 华盛顿大学商业中心 2016-10-05 — — CN claimed
CN-117969732-A Quantitative determination method for medicinal materials, decoction pieces, standard decoction or formula particles of faeces Vespertilionis 四川新绿色药业科技发展有限公司 2024-05-03 — — CN disclosed
CN-117305388-B Application of bacillus bailii SL-K2 in preparation of guanine extract, preparation method of guanine extract and application 青岛日晟源作物营养有限公司 2024-04-26 — — CN disclosed
CN-117305388-A Application of bacillus bailii SL-K2 in preparation of guanine extract, preparation method of guanine extract and application 青岛日晟源作物营养有限公司 2023-12-29 — — CN disclosed
CN-114380832-B One-step synthesis method of guanine 湖北李泽园医药科技有限公司 2023-06-16 — — CN disclosed
CN-111646994-B Preparation method and application of 2, 4-diamino-6-hydroxy-5-formamido pyrimidine 潍坊奥通药业有限公司 2023-04-18 — — CN disclosed
CN-111646994-B Preparation method and application of 2, 4-diamino-6-hydroxy-5-formamido pyrimidine 潍坊奥通药业有限公司 2023-04-18 — — CN disclosed
US-20220282275-A1 G-TO-T BASE EDITORS AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2022-09-08 — — US disclosed
CN-114380832-A One-step synthetic method of guanine 湖北李泽园医药科技有限公司 2022-04-22 — — CN disclosed
US-8450479-B2 3-substituted-4-oxo-3,4-dihydro-imidazo[5,1-d][1,2,3,5-tetrazine-8-carboxylic acid amides and their use PHARMINOX LIMITED (GB) 2013-05-28 — — US disclosed
WO-2012085501-A1 8 - SULFO - IMIDAZOTETRAZIN- 4 - ONE COMPOUNDS AND THEIR USE AS ANTICANCER DRUG PHARMINOX LIMITED (GB) 2012-06-28 — — WO disclosed
EP-2445915-A1 3-SUBSTITUTED-8-SUBSTITUTED-3H IMIDAZO[5,1-D][1,2,3,5-TETRAZIN-4-ONE COMPOUNDS AND THEIR USE Pharminox Limited (GB) 2012-05-02 — — EP disclosed
US-20120083513-A1 3-Substituted-8-Substituted-3H-Imidazo[5,1-d][1,2,3,5]tetrazin-4-one Compounds and Their Use PHARMINOX LIMITED (GB) 2012-04-05 — — US disclosed
CN-102292455-A Chromatin structure detection — 2011-12-21 — — CN disclosed
WO-2010149968-A1 3-SUBSTITUTED-8-SUBSTITUTED-3H IMIDAZO[5,1-D][1,2,3,5-TETRAZIN-4-ONE COMPOUNDS AND THEIR USE PHARMINOX LIMITED (GB) 2010-12-29 — — WO disclosed
US-20100286088-A1 3-Substituted-4-Oxo-3,4-Dihydro-Imidazo[5,1-d][1,2,3,5-Tetrazine-8-Carboxylic Acid Amides and Their Use PHARMINOX LIMITED (GB) 2010-11-11 — — US disclosed
EP-2229393-A2 3-SUBSTITUTED-4-OXO-3,4-DIHYDRO-IMIDAZO-[5,1-D][1,2,3,5]-TETRAZINE-8-CARBOXYLIC ACID AMIDES AS ANTICANCER AGENTS PHARMONIX LIMITED (GB) 2010-09-22 — — EP disclosed
WO-2009077741-A2 3-SUBSTITUTED-4-OXO-3,4-DIHYDRO-IMIDAZO-[5,1-D][1,2,3,5-TETRAZINE-8-CARBOXYLIC ACID AMIDES AND THEIR USE PHARMINOX LIMITED (GB) 2009-06-25 — — 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 (2 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-20120083513-A1 3-Substituted-8-Substituted-3H-Imidazo[5,1-d][1,2,3,5]tetrazin-4-one Compounds and Their Use MKI67, CCNA1, CCNI XDH 1697/4885PNP 3328/4885BLM 2008/4885
US-20100286088-A1 3-Substituted-4-Oxo-3,4-Dihydro-Imidazo[5,1-d][1,2,3,5-Tetrazine-8-Carboxylic Acid Amides and Their Use MKI67, CCNI, CDK4 XDH 1373/4885PNP 3045/4885BLM 4563/4885

“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.