Sugi Predict

Sugi Predict / Compounds / SCHEMBL263398

SCHEMBL263398

SCHEMBL263398

Cc1nc(C)c(CCO)s1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ CYP1A2 P05177 1/20 0.41
▸ HRH2 P25021 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ HRH4 Q9H3N8 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ PDE10A Q9Y233 3/20 0.39
▸ SRC P12931 2/20 0.38
▸ ZAP70 P43403 2/20 0.38
▸ SYK P43405 2/20 0.38
▸ SLC6A3 Q01959 1/20 0.37
▸ FBP1 P09467 1/20 0.33
▸ TKT P29401 1/20 0.33
▸ NR1I2 O75469 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 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
Iodide SCHEMBL28449438 0.98 ALDH1A1 (0.44) ALDH1A1GAACYP1A2HRH2HRH1
SCHEMBL18256087 0.87 ALDH1A1 (0.43) ALDH1A1GAACYP1A2HRH2HRH1
SCHEMBL7910237 0.84 ALDH1A1 (0.41) ALDH1A1GAACYP1A2HRH2HRH1
SCHEMBL261442 0.82 SRC (0.47) CYP1A2HRH2HRH1HRH4TP53
SCHEMBL95057 0.81 — —
SCHEMBL22190217 0.80 CYP1A2 (0.39) ALDH1A1GAACYP1A2HRH2HRH1
SCHEMBL10282380 0.79 ALDH1A1 (0.42) ALDH1A1GAACYP1A2HRH2HRH1
SCHEMBL259638 0.78 HRH2 (0.68) ALDH1A1CYP1A2HRH2HRH1HRH4
Bromide SCHEMBL27489256 0.78 CYP1A2 (0.38) ALDH1A1GAACYP1A2HRH2HRH1
SCHEMBL17398916 0.78 HSD17B10 (0.33) ALDH1A1GAATKT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107286114-B Brain-targeted prodrug of AMPA receptor synergist and medical application thereof 中国人民解放军军事医学科学院毒物药物研究所 2020-08-18 — — CN claimed
CN-107286114-A The Brain targeting prodrug and its medical usage of ampa receptor synergist 中国人民解放军军事医学科学院毒物药物研究所 2017-10-24 — — CN claimed
CN-1332946-C Premedicine acting on nervous centralis system INST RADIATION MED AMMS PLA (CN) 2007-08-22 — — CN claimed
CN-1785972-A Premedicine acting on nervous centralis system INST RADIATION MED AMMS PLA (CN) 2006-06-14 — — CN claimed
US-20230167057-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-06-01 — — US disclosed
CN-107709323-B Hydroxyl purine compound and application thereof 广东众生睿创生物科技有限公司 2020-11-20 — — CN disclosed
CN-107286114-B Brain-targeted prodrug of AMPA receptor synergist and medical application thereof 中国人民解放军军事医学科学院毒物药物研究所 2020-08-18 — — CN disclosed
US-10278973-B2 Hydroxyl purine compounds and use thereof Guangdong Raynovent Biotech Co., Ltd. (CN) 2019-05-07 — — US disclosed
EP-3107908-B1 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2019-03-27 — — EP disclosed
EP-3107908-B1 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2019-03-27 — — EP disclosed
US-20180140607-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF Guangdong Raynovent Biotech Co., Ltd. (CN) 2018-05-24 — — US disclosed
EP-3299371-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-03-28 — — EP disclosed
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHAMA CORPORATION (JP) 2007-09-13 — — US disclosed
CN-1332946-C Premedicine acting on nervous centralis system INST RADIATION MED AMMS PLA (CN) 2007-08-22 — — CN disclosed
US-7189750-B2 Thiazole-based nitric oxide donors having at least two thiazole moieties and uses thereof RENOPHARM LTD. (IL) 2007-03-13 — — US disclosed
US-20070021382-A1 Nitric oxide donors and uses thereof RENOPHARM LTD. (IL) 2007-01-25 — — US disclosed
CN-1785972-A Premedicine acting on nervous centralis system INST RADIATION MED AMMS PLA (CN) 2006-06-14 — — CN disclosed
WO-2005095344-A1 THIOALKENEAMIDES AS TRANSKETOLASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2005-10-13 — — WO disclosed
WO-2005095391-A1 THIAZOLIUMS AS TRANSKETOLASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2005-10-13 — — WO disclosed
CN-1345239-A Heterocyclic containing biphenyl alpha P2 inhibitors and method BRISTOL MYERS SQUIBB CO (US) 2002-04-17 — — CN 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-20180140607-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF PNP, PDE7A, PDE2A ALDH1A1 379/4885GAA 790/4885CYP1A2 98/4885
US-10278973-B2 Hydroxyl purine compounds and use thereof PNP, PDE7A, PDE2A ALDH1A1 379/4885GAA 790/4885CYP1A2 98/4885
US-20230167057-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 ALDH1A1 4654/4885GAA 184/4885CYP1A2 4719/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 ALDH1A1 996/4885GAA 2785/4885CYP1A2 486/4885
US-20070021382-A1 Nitric oxide donors and uses thereof NOS2, NOS1, NOS3 ALDH1A1 475/4885GAA 1722/4885CYP1A2 168/4885

“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.