Gemcitabine

Gemcitabine

SCHEMBL366874

Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1.Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

POLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PRIM1PRIM2RRM1RRM2RRM2B

The experimentally established mechanism targets of Gemcitabine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLA1 known ✓ P09884 2/20 0.61
▸ PDE3A Q14432 3/20 1.00
▸ PDE4D Q08499 1/20 1.00
▸ SLC29A1 Q99808 1/20 1.00
▸ LMNA P02545 3/20 0.60
▸ THRB P10828 1/20 0.60
▸ MTOR P42345 1/20 0.60
▸ MDM2 Q00987 1/20 0.60
▸ NCOA1 Q15788 1/20 0.60
▸ NCOA3 Q9Y6Q9 1/20 0.60
▸ CACNA1F O60840 2/20 0.49
▸ ALB P02768 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ CACNA1D Q01668 2/20 0.49
▸ CACNA1S Q13698 2/20 0.49
▸ CACNA1C Q13936 2/20 0.49
▸ CDA P32320 4/20 0.44

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
Gemcitabine SCHEMBL6369622 1.00 PDE3A (1.00) PDE3APDE4DSLC29A1POLA1LMNA
Gemcitabine SCHEMBL9143689 1.00 PDE3A (1.00) PDE3APDE4DSLC29A1POLA1LMNA
Gemcitabine SCHEMBL18389585 1.00 PDE3A (1.00) PDE3APDE4DSLC29A1POLA1LMNA
Gemcitabine SCHEMBL18768286 1.00 PDE3A (1.00) PDE3APDE4DSLC29A1POLA1LMNA
Gemcitabine SCHEMBL9140896 1.00 PDE3A (1.00) PDE3APDE4DSLC29A1POLA1LMNA
Gemcitabine SCHEMBL19235640 1.00 PDE3A (1.00) PDE3APDE4DSLC29A1POLA1LMNA
Gemcitabine SCHEMBL13262185 1.00 PDE3A (1.00) PDE3APDE4DSLC29A1POLA1LMNA
Gemcitabine SCHEMBL9140892 1.00 PDE3A (1.00) PDE3APDE4DSLC29A1POLA1LMNA
Gemcitabine SCHEMBL20827751 1.00 PDE3A (1.00) PDE3APDE4DSLC29A1POLA1LMNA
Gemcitabine SCHEMBL12737233 1.00 PDE3A (1.00) PDE3APDE4DSLC29A1POLA1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11957682-B2 Compounds and methods for regulating, limiting, or inhibiting AVIL expression UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2024-04-16 — — US claimed
CN-114746753-A Correlating AKR1C3 enzyme expression level through prostaglandin content and screening administration application 深圳艾欣达伟医药科技有限公司 2022-07-12 — — CN claimed
CN-114555614-A Anti-cancer compounds as non-PGP substrates 深圳艾欣达伟医药科技有限公司 2022-05-27 — — CN claimed
WO-2021110085-A1 METHOD FOR ASSOCIATING WITH EXPRESSION LEVEL OF AKR1C3 ENZYME VIA CONTENT OF PROSTAGLANDIN, AND USE OF SCREENING FOR DRUG ADMINISTRATION 深圳艾欣达伟医药科技有限公司 2021-06-10 — — WO claimed
CN-112904026-A Correlating AKR1C3 enzyme expression level through prostaglandin content and screening administration application 深圳艾欣达伟医药科技有限公司 2021-06-04 — — CN claimed
WO-2021083310-A1 ANTI-CANCER COMPOUNDS ACTING AS NON-PGP SUBSTRATE 深圳艾欣达伟医药科技有限公司 2021-05-06 — — WO claimed
CN-110267650-A Cancer of pancreas treatment 杏国新药股份有限公司 2019-09-20 — — CN claimed
US-8906879-B2 Combination for the treatment of cancer GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2014-12-09 — — US claimed
US-20130261075-A1 COMBINATION NOVARTIS AG (CH) 2013-10-03 — — US claimed
CN-102365024-A Compounds, compositions and methods for preventing metastasis of cancer cells AKEBIA THERAPEUTICS INC 2012-02-29 — — CN claimed
CN-1833636-A Application of biphenyl cyclooctadiene lignin in treatment of tumour medicine HU XUN (CN) 2006-09-20 — — CN claimed
CN-1762450-A Application of magnolia vine fruit in preparation of anti-tumor medicine or multi-medicine tolerant reversal agent HU XUN (CN) 2006-04-26 — — CN claimed
CN-116549455-A Application of PLK4 inhibitor Centrinone in preparation of medicine for treating echinococcosis 中国药科大学 2023-08-08 — — CN disclosed
CN-113281397-B Method for tracking lysosomal content in monosysins 中国科学技术大学 2023-04-25 — — CN disclosed
CN-110382532-B anti-G-CSF antibodies and uses thereof ME医疗公司 2023-04-14 — — CN disclosed
CN-114746753-A Correlating AKR1C3 enzyme expression level through prostaglandin content and screening administration application 深圳艾欣达伟医药科技有限公司 2022-07-12 — — CN disclosed
WO-2003043632-A2 USE OF BISINDOLMALEIMIDE AND GEMCITABINE FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2003-05-30 — — WO disclosed
WO-2003028696-A2 COMPOSITIONS FOR DELIVERY OF DRUG COMBINATIONS CELATOR TECHNOLOGIES INC. (CA) 2003-04-10 — — WO disclosed
WO-2002102363-A1 BIOLOGICAL RESPONSE MODIFIER COMPOSITION AND USES THEREOF LORUS THERAPEUTICS INC. (CA) 2002-12-27 — — WO disclosed
WO-2002038164-A1 COMBINATION PREPARATION OF A BIOLOGICAL RESPONSE MODIFIER AND AN ANTICANCER AGENT AND USES THEREOF LORUS THERAPEUTICS INC. (CA) 2002-05-16 — — 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-11957682-B2 Compounds and methods for regulating, limiting, or inhibiting AVIL expression VCL, HDLBP, VHL POLA1 4275/4885PDE3A 2423/4885PDE4D 2158/4885
US-20130261075-A1 COMBINATION DPYD, DUT, PAICS POLA1 810/4885PDE3A 1454/4885PDE4D 428/4885

“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.

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