Sugi Predict

Sugi Predict / Compounds / SCHEMBL2898307

SCHEMBL2898307

SCHEMBL2898307

O=[N+]([O-])c1cccnc1N1CCNCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.75
▸ CYP2C9 P11712 2/20 0.75
▸ CYP2C19 P33261 1/20 0.75
▸ LMNA P02545 1/20 0.69
▸ MAPT P10636 5/20 0.63
▸ MAPK1 P28482 1/20 0.63
▸ ALDH1A1 P00352 3/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ POLB P06746 1/20 0.57
▸ GRM5 P41594 2/20 0.57
▸ HSD11B1 P28845 1/20 0.56

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
SCHEMBL4688913 0.94 CYP1A2 (0.76) CYP1A2CYP2C9CYP2C19LMNAMAPT
SCHEMBL781659 0.89 CYP1A2 (0.87) CYP1A2CYP2C9CYP2C19LMNAMAPT
SCHEMBL6708175 0.86 CYP1A2 (1.00) CYP1A2CYP2C9CYP2C19LMNAMAPT
SCHEMBL5795083 0.86 CYP1A2 (1.00) CYP1A2CYP2C9CYP2C19LMNAMAPT
SCHEMBL29577310 0.86 CYP1A2 (1.00) CYP1A2CYP2C9CYP2C19LMNAMAPT
SCHEMBL10776859 0.86 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19LMNAMAPT
SCHEMBL3434185 0.85 LMNA (0.73) CYP1A2CYP2C9CYP2C19LMNAMAPT
Hydrochloric Acid SCHEMBL27538332 0.84 CYP1A2 (0.97) CYP1A2CYP2C9CYP2C19LMNAMAPT
SCHEMBL14377458 0.83 CYP1A2 (0.63) CYP1A2CYP2C9CYP2C19LMNAMAPT
SCHEMBL135679 0.82 LMNA (1.00) CYP1A2CYP2C9CYP2C19LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118927749-B Polypropylene synthetic paper with bright surface and matte surface and preparation method thereof 烟台富利新材料科技有限公司 2024-12-17 — — CN claimed
CN-118927749-A Polypropylene synthetic paper with bright surface and matte surface and preparation method thereof 烟台富利新材料科技有限公司 2024-11-12 — — CN claimed
US-6306860-B1 ANTIVIRAL ACTIVITIES AGAINST HEPATATIS B AS WELL AS HUMAN IMMUNODEFICIENCY VIRUS DONG WHA PHARM. INC. CO., LTD. (KR) 2001-10-23 — — US claimed
CN-1305472-A Novel 2,5-pyridinedicarboxylic acid derivatives DONY WHA PARM IND CO LTD (KR) 2001-07-25 — — CN claimed
WO-1999058526-A1 NOVEL 2,5-PYRIDINEDICARBOXYLIC ACID DERIVATIVES DONG WHA PHARM. IND. CO., LTD. (KR) 1999-11-18 — — WO claimed
CN-118927749-B Polypropylene synthetic paper with bright surface and matte surface and preparation method thereof 烟台富利新材料科技有限公司 2024-12-17 — — CN disclosed
CN-118927749-A Polypropylene synthetic paper with bright surface and matte surface and preparation method thereof 烟台富利新材料科技有限公司 2024-11-12 — — CN disclosed
US-20230146675-A1 PYRIMIDO[5,4-d]PYRIMIDINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS iTeos Belgium SA (BE) 2023-05-11 — — US disclosed
US-20230146675-A1 PYRIMIDO[5,4-d]PYRIMIDINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS iTeos Belgium SA (BE) 2023-05-11 — — US disclosed
EP-1716125-B1 TETRAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONITS ASTRAZENECA AB (SE) 2013-06-19 — — EP disclosed
WO-2012176123-A1 3 - IMIDAZOLYL- INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2012-12-27 — — WO disclosed
CN-101638423-B Phloridzin derivative as well as preparation method and application thereof 3D IND TECHNOLOGY RES INST CO LTD OF CHANGZHOU HIGH TECH IND DEV ZONE 2012-09-05 — — CN disclosed
US-4757073-A Antipsychotic agents BRISTOL-MYERS COMPANY (US) 1988-07-12 — — US disclosed
EP-0263213-A1 C20 Through C26 amino steroids THE UPJOHN COMPANY (US) 1988-04-13 — — EP disclosed
EP-0238545-A1 C 20? THROUGH C 26? AMINO STEROIDS. UPJOHN CO (US) 1987-09-30 — — EP disclosed
WO-1987001706-A2 C20 THROUGH C26 AMINO STEROIDS THE UPJOHN COMPANY (US) 1987-03-26 — — WO disclosed
CN-86106226-A 20-and 21-amino steroids — 1987-03-18 — — CN disclosed
CN-86100224-A The preparation method of psycholeptic 2-(4-butyl piperazine-1-yl) pyridines cyclic imide derivative — 1986-11-19 — — CN disclosed
US-4619930-A Antipsychotic cyclic imide derivatives of 2-(4-butylpiperazin-1-yl)pyridines, compositions and use BRISTOL-MYERS COMPANY (US) 1986-10-28 — — US disclosed
US-4442103-A ANTIDEPRESSANTS MERCK & CO., INC. (US) 1984-04-10 — — US 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 (1 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-20230146675-A1 PYRIMIDO[5,4-d]PYRIMIDINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS ENTPD5, ENTPD1, SLC29A1 CYP1A2 2896/4885CYP2C9 1647/4885CYP2C19 1678/4885

“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.