Sugi Predict

Sugi Predict / Compounds / SCHEMBL5795083

SCHEMBL5795083

SCHEMBL5795083

O=[N+]([O-])c1cccnc1N1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 1.00
▸ CYP2C9 P11712 2/20 1.00
▸ CYP2C19 P33261 1/20 1.00
▸ LMNA P02545 1/20 0.75
▸ MAPT P10636 8/20 0.68
▸ MAPK1 P28482 6/20 0.68
▸ ALDH1A1 P00352 8/20 0.66
▸ L3MBTL1 Q9Y468 2/20 0.66
▸ POLB P06746 2/20 0.61
▸ HSD11B1 P28845 1/20 0.60
▸ TDP1 Q9NUW8 2/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ HTT P42858 1/20 0.59
▸ GRM5 P41594 3/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ TNNI3 P19429 1/20 0.57
▸ TNNT2 P45379 1/20 0.57
▸ TNNC1 P63316 1/20 0.57

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
SCHEMBL6708175 1.00 CYP1A2 (1.00) CYP1A2CYP2C9CYP2C19LMNAMAPT
SCHEMBL29577310 1.00 CYP1A2 (1.00) CYP1A2CYP2C9CYP2C19LMNAMAPT
Hydrochloric Acid SCHEMBL27538332 0.98 CYP1A2 (0.97) CYP1A2CYP2C9CYP2C19LMNAMAPT
SCHEMBL781659 0.93 CYP1A2 (0.87) CYP1A2CYP2C9CYP2C19LMNAMAPT
SCHEMBL4688913 0.87 CYP1A2 (0.76) CYP1A2CYP2C9CYP2C19LMNAMAPT
SCHEMBL5795821 0.86 CYP1A2 (0.74) CYP1A2CYP2C9CYP2C19LMNAMAPT
SCHEMBL2898307 0.86 CYP1A2 (0.75) CYP1A2CYP2C9CYP2C19LMNAMAPT
SCHEMBL135679 0.86 LMNA (1.00) CYP1A2CYP2C9CYP2C19LMNAMAPT
SCHEMBL9639441 0.86 CYP1A2 (1.00) CYP1A2CYP2C9CYP2C19LMNAMAPT
SCHEMBL6110694 0.86 CYP1A2 (0.75) 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106946890-A Pyridines IRAK4 inhibitor, its preparation method and application 中国药科大学 2017-07-14 — — CN claimed
US-11529350-B2 Tyrosine kinase non-receptor 1 (TNK1) inhibitors and uses thereof SUMITOMO PHARMA ONCOLOGY, INC. (US) 2022-12-20 — — US disclosed
US-11529350-B2 Tyrosine kinase non-receptor 1 (TNK1) inhibitors and uses thereof SUMITOMO PHARMA ONCOLOGY, INC. (US) 2022-12-20 — — US disclosed
EP-3994132-A1 TYROSINE KINASE NON-RECEPTOR 1 (TNK1) INHIBITORS AND USES THEREOF Sumitomo Dainippon Pharma Oncology, Inc. (US) 2022-05-11 — — EP disclosed
CN-114302878-A Tyrosine kinase non-receptor 1(TNK1) inhibitors and uses thereof 大日本住友制药肿瘤公司 2022-04-08 — — CN disclosed
CN-109705033-B N-heteroaryl sulfonamide derivative, preparation and application 杭州壹瑞医药科技有限公司 2021-03-30 — — CN disclosed
US-20210000825-A1 Tyrosine Kinase Non-Receptor 1 (TNK1) Inhibitors and Uses Thereof SUMITOMO PHARMA ONCOLOGY, INC. 2021-01-07 — — US disclosed
WO-2021003417-A1 TYROSINE KINASE NON-RECEPTOR 1 (TNK1) INHIBITORS AND USES THEREOF SUMITOMO DAINIPPON PHARMA ONCOLOGY, INC. (US) 2021-01-07 — — WO disclosed
WO-2021003417-A1 TYROSINE KINASE NON-RECEPTOR 1 (TNK1) INHIBITORS AND USES THEREOF SUMITOMO DAINIPPON PHARMA ONCOLOGY, INC. (US) 2021-01-07 — — WO disclosed
US-20210000825-A1 Tyrosine Kinase Non-Receptor 1 (TNK1) Inhibitors and Uses Thereof SUMITOMO PHARMA ONCOLOGY, INC. 2021-01-07 — — US disclosed
CN-106946890-A Pyridines IRAK4 inhibitor, its preparation method and application 中国药科大学 2017-07-14 — — CN disclosed
US-9421204-B2 Oligomer modified diaromatic substituted compounds NEKTAR THERAPEUTICS (US) 2016-08-23 — — US disclosed
US-20160143904-A1 OLIGOMER MODIFIED DIAROMATIC SUBSTITUTED COMPOUNDS NEKTAR THERAPEUTICS 2016-05-26 — — US disclosed
US-9226970-B2 Oligomer modified diaromatic substituted compounds NEKTAR THERAPEUTICS (US) 2016-01-05 — — US disclosed
US-20130040961-A1 OLIGOMER MODIFIED DIAROMATIC SUBSTITUTED COMPOUNDS NEKTAR THERAPEUTICS (US) 2013-02-14 — — US disclosed
WO-2006025717-A1 PYRROLO[2,3-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 — — WO disclosed
WO-1997003077-A1 BENZ- OR PYRIDO-IMIDAZOLE DERIVATIVES YUNGJIN PHARMACEUTICAL CO., LTD. (KR) 1997-01-30 — — 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 (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-20210000825-A1 Tyrosine Kinase Non-Receptor 1 (TNK1) Inhibitors and Uses Thereof TNK1, TNNI3K, TYK2 CYP1A2 3135/4885CYP2C9 2341/4885CYP2C19 1890/4885
US-20130040961-A1 OLIGOMER MODIFIED DIAROMATIC SUBSTITUTED COMPOUNDS PCNA, DNPEP, POLI CYP1A2 2582/4885CYP2C9 605/4885CYP2C19 704/4885
US-11529350-B2 Tyrosine kinase non-receptor 1 (TNK1) inhibitors and uses thereof TNK1, TNNI3K, TYK2 CYP1A2 3135/4885CYP2C9 2341/4885CYP2C19 1890/4885
US-20160143904-A1 OLIGOMER MODIFIED DIAROMATIC SUBSTITUTED COMPOUNDS HLA-DRB1, NOD2, DCX CYP1A2 827/4885CYP2C9 429/4885CYP2C19 969/4885

“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.