SCHEMBL29904409

SCHEMBL29904409

O=Nc1c(-c2c(O)[nH]c3ccc([N+](=O)[O-])cc23)[nH]c2ccc(O)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 10/20 1.00
▸ CDK2 P24941 10/20 1.00
▸ CDK1 P06493 6/20 1.00
▸ CCNB1 P14635 5/20 1.00
▸ FLT3 P36888 4/20 1.00
▸ AURKA O14965 2/20 1.00
▸ IKBKB O14920 1/20 1.00
▸ NTRK1 P04629 1/20 1.00
▸ CDK5R1 Q15078 9/20 0.81
▸ CDK5 Q00535 8/20 0.81
▸ CCNT1 O60563 4/20 0.78
▸ CDK9 P50750 4/20 0.78
▸ STK17B O94768 3/20 0.60
▸ STK17A Q9UEE5 2/20 0.60
▸ GSK3B P49841 5/20 0.56
▸ GSK3A P49840 4/20 0.56
▸ CCNB2 O95067 3/20 0.56
▸ CCNB3 Q8WWL7 3/20 0.56
▸ ALOX5 P09917 2/20 0.53
▸ SGK1 O00141 1/20 0.52

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
SCHEMBL30309734 0.89 CDK5R1 (1.00) CCNE1CDK2CDK1CCNB1FLT3
Indirubin-3-Monoxime SCHEMBL29354191 0.70 CDK5R1 (1.00) CCNE1CDK2CDK1CCNB1FLT3
SCHEMBL29484209 0.69 GSK3B (1.00) CCNE1CDK2CDK1CCNB1FLT3
SCHEMBL30319828 0.69 CDK5R1 (1.00) CCNE1CDK2CDK1CCNB1FLT3
SCHEMBL30319818 0.69 GSK3B (0.83) CCNE1CDK2CDK1CCNB1FLT3
SCHEMBL30319823 0.69 CCNE1 (0.63) CCNE1CDK2CDK1CCNB1FLT3
SCHEMBL30141665 0.69 CDK5R1 (1.00) CCNE1CDK2CDK1CCNB1FLT3
SCHEMBL29540314 0.67 GABRA1 (0.70) MEN1NPC1ALDH1A1LMNAMAPT
SCHEMBL155013 0.67 GABRA1 (0.70) MEN1NPC1ALDH1A1LMNAMAPT
SCHEMBL13302321 0.66 SLC6A4 (0.52) CCNE1CDK2CDK1CCNB1FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240293413-A1 COMPOUND AND METHOD FOR TREATING CHEMOTHERAPY-RELATED GASTROINTESTINAL SIDE EFFECTS ONQUALITY PHARMACEUTICALS CHINA LTD. (CN) 2024-09-05 — — US claimed
EP-4353236-A1 COMPOUND AND METHOD FOR TREATING CHEMOTHERAPY-RELATED GASTROINTESTINAL SIDE EFFECTS OnQuality Pharmaceuticals China Ltd. (CN) 2024-04-17 — — EP claimed
CN-117529322-A Compounds and methods for treating chemotherapy-related gastrointestinal side effects 上海岸阔医药科技有限公司 2024-02-06 — — CN claimed
WO-2023090935-A1 METHOD FOR PRODUCING AGM PEPTIDES THAT BIND SPECIFICALLY TO NUCLEOLIN 애니젠 주식회사 2023-05-25 — — WO claimed
WO-2022258001-A1 COMPOUND AND METHOD FOR TREATING CHEMOTHERAPY-RELATED GASTROINTESTINAL SIDE EFFECTS 上海岸阔医药科技有限公司 2022-12-15 — — WO claimed
US-20260053761-A1 USE OF THYROMIMETICS FOR THE TREATMENT OF CANCER UNIV OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2026-02-26 — — US disclosed
US-20250339551-A1 AN ANTIBODY-DRUG CONJUGATE HAVING TWO OR MORE DIFFERENT FUNCTIONAL SMALL MOLECULES FOR ENHANCED TREATMENT OF REFRACTORY DISEASES HANGZHOU SEEHE BIOTECHNOLOGY CO., LTD (CN) 2025-11-06 — — US disclosed
US-20250188545-A1 METHODS FOR PREDICTING RESPONSIVENESS OF LYMPHOMA TO DRUG AND METHODS FOR TREATING LYMPHOMA CELGENE CORPORATION (US) 2025-06-12 — — US disclosed
WO-2025080543-A1 METHODS FOR PREDICTING RESPONSIVENESS OF LYMPHOMA TO DRUG AND METHODS FOR TREATING LYMPHOMA BRISTOL-MYERS SQUIBB COMPANY (US) 2025-04-17 — — WO disclosed
EP-4508246-A1 METHODS FOR PREDICTING RESPONSIVENESS OF LYMPHOMA TO DRUG AND METHODS FOR TREATING LYMPHOMA CELGENE CORPORATION (US) 2025-02-19 — — EP disclosed
CN-119156456-A Method for predicting responsiveness of lymphoma to drug and method for treating lymphoma 新基公司 2024-12-17 — — CN disclosed
WO-2024189607-A1 METHODS AND BIOAVAILABLE HIGHLY PERMEABLE COMPOUNDS FOR DISEASES TREATMENT DIDENKO KIRILL (MX) 2024-09-19 — — WO disclosed
EP-4190816-A1 ANTI-CD47 MONOCLONAL ANTIBODY AND USE THEREOF Akeso Biopharma, Inc. (CN) 2023-06-07 — — EP disclosed
WO-2023090935-A1 METHOD FOR PRODUCING AGM PEPTIDES THAT BIND SPECIFICALLY TO NUCLEOLIN 애니젠 주식회사 2023-05-25 — — WO disclosed
US-20230158034-A1 CO-TREATMENT WITH CDK4/6 AND CDK2 INHIBITORS TO SUPPRESS TUMOR ADAPTATION TO CDK2 INHIBITORS PFIZER INC. (US) 2023-05-25 — — US disclosed
EP-4132530-A1 CO-TREATMENT WITH CDK4/6 AND CDK2 INHIBITORS TO SUPPRESS TUMOR ADAPTATION TO CDK2 INHIBITORS Pfizer Inc. (US) 2023-02-15 — — EP disclosed
WO-2022258001-A1 COMPOUND AND METHOD FOR TREATING CHEMOTHERAPY-RELATED GASTROINTESTINAL SIDE EFFECTS 上海岸阔医药科技有限公司 2022-12-15 — — WO disclosed
WO-2022218384-A1 ANTI-CD47 MONOCLONAL ANTIBODY AND USE THEREOF 中山康方生物医药有限公司 2022-10-20 — — WO disclosed
CN-115192718-A anti-CD47 monoclonal antibody and application thereof 中山康方生物医药有限公司 2022-10-18 — — CN disclosed
US-11439646-B2 Anti-proliferative agents for treating PAH PFIZER INC. (US) 2022-09-13 — — 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 (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-20250339551-A1 AN ANTIBODY-DRUG CONJUGATE HAVING TWO OR MORE DIFFERENT FUNCTIONAL SMALL MOLECULES FOR ENHANCED TREATMENT OF REFRACTORY DISEASES FCGR2A, FCGR3B, FCGR1A CCNE1 3058/4885CDK2 1737/4885CDK1 2894/4885
US-20260053761-A1 USE OF THYROMIMETICS FOR THE TREATMENT OF CANCER THRA, THRB, TRHR CCNE1 3242/4885CDK2 3195/4885CDK1 3088/4885
US-20230158034-A1 CO-TREATMENT WITH CDK4/6 AND CDK2 INHIBITORS TO SUPPRESS TUMOR ADAPTATION TO CDK2 INHIBITORS CDK4, CDK6, CDK2 CCNE1 52/4885CDK2 3/4885CDK1 8/4885
US-11439646-B2 Anti-proliferative agents for treating PAH CDK8, CDK4, CDKL1 CCNE1 82/4885CDK2 13/4885CDK1 17/4885

“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.

Send feedback