Gemcitabine

Gemcitabine

SCHEMBL18768286

Nc1ccn([C@@H]2OC(CO)C(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 SCHEMBL366874 1.00 PDE3A (1.00) PDE3APDE4DSLC29A1POLA1LMNA
Gemcitabine SCHEMBL9143689 1.00 PDE3A (1.00) PDE3APDE4DSLC29A1POLA1LMNA
Gemcitabine SCHEMBL18389585 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230173079-A1 Conjugate Molecules DIVERSE BIOTECH, INC. (US) 2023-06-08 — — US disclosed
US-20220409582-A1 COMBINATION THERAPIES COMPRISING PANOBINOSTAT FOR THE TREATMENT OF CHOLANGIOCARCINOMA SEALD AS (NO) 2022-12-29 — — US disclosed
US-11219633-B2 Nucleobase analogue derivatives and their applications BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-01-11 — — US disclosed
US-11040051-B2 Formulation comprising a gemcitabine-prodrug NuCana plc (GB) 2021-06-22 — — US disclosed
WO-2021028842-A1 A STABLE READY-TO-USE INJECTABLE COMPOSITION OF GEMCITABINE OR ITS SALT AND METHODS FOR PRODUCING SAME HETERO HEALTHCARE LIMITED (IN) 2021-02-18 — — WO disclosed
US-20200397810-A1 FORMULATION COMPRISING A GEMCITABINE-PRODRUG NuCana plc (GB) 2020-12-24 — — US disclosed
US-20200268783-A1 COMBINATION THERAPY FOR CANCER NuCana plc (GB) 2020-08-27 — — US disclosed
US-10660912-B2 Combination therapy for cancer NuCana plc (GB) 2020-05-26 — — US disclosed
US-10662213-B2 Gemcitabine prodrugs NuCana plc (GB) 2020-05-26 — — US disclosed
US-10463684-B2 Nucleobase analogue derivatives and their applications BOARD OF REGENTS, THE UNEVERSETY OF TEXAS SYSTEM (US) 2019-11-05 — — US disclosed
US-10220051-B2 Combination of DNA repair inhibition with bendamustine or gemcitabine in the treatment of cancer INSTITUTE FOR CANCER RESEARCH 2019-03-05 — — US disclosed
EP-2739154-B1 VITAMIN B6 DERIVATIVES OF NUCLEOTIDES, ACYCLONUCLEOTIDES AND ACYCLONUCLEOSIDE PHOSPHONATES MBC PHARMA INC (US) 2018-06-27 — — EP disclosed
US-9944670-B2 Gemcitabine derivatives, compositions comprising same and pharmaceutical applications thereof Hangzhou Yuanchang Medical Sci-Tech Co., Ltd (CN) 2018-04-17 — — US disclosed
US-20180064808-A1 COMBINATION THERAPY OF BISPECIFIC ANTIBODIES SPECIFIC FOR FAP AND DR5 AND CHEMOTHERAPEUTIC AGENTS HOFFMANN-LA ROCHE INC. (US) 2018-03-08 — — US disclosed
US-20170157162-A1 NUCLEOBASE ANALOGUE DERIVATIVES AND THEIR APPLICATIONS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2017-06-08 — — US disclosed
US-20170107246-A1 GEMCITABINE PRODRUGS NUCANA BIOMED LIMITED (GB) 2017-04-20 — — 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 (13 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-11040051-B2 Formulation comprising a gemcitabine-prodrug PNP, TYMP, DPYD POLA1 821/4885PDE3A 426/4885PDE4D 460/4885
US-10220051-B2 Combination of DNA repair inhibition with bendamustine or gemcitabine in the treatment of cancer UNG, MPG, OGG1 POLA1 140/4885PDE3A 1664/4885PDE4D 2013/4885
US-20200397810-A1 FORMULATION COMPRISING A GEMCITABINE-PRODRUG PNP, TYMP, DPYD POLA1 821/4885PDE3A 426/4885PDE4D 460/4885
US-10660912-B2 Combination therapy for cancer TYMP, PNP, NUCB2 POLA1 173/4885PDE3A 3334/4885PDE4D 2866/4885
US-20180064808-A1 COMBINATION THERAPY OF BISPECIFIC ANTIBODIES SPECIFIC FOR FAP AND DR5 AND CHEMOTHERAPEUTIC AGENTS FAP, TNFRSF1A, TNFRSF9 POLA1 1953/4885PDE3A 4688/4885PDE4D 2601/4885
US-10463684-B2 Nucleobase analogue derivatives and their applications PNLIP, NT5C2, ENPP3 POLA1 492/4885PDE3A 752/4885PDE4D 663/4885
US-11219633-B2 Nucleobase analogue derivatives and their applications PNLIP, NT5C2, ENPP3 POLA1 486/4885PDE3A 775/4885PDE4D 688/4885
US-20170107246-A1 GEMCITABINE PRODRUGS TYMP, PNP, MTAP POLA1 593/4885PDE3A 823/4885PDE4D 545/4885
US-20200268783-A1 COMBINATION THERAPY FOR CANCER TYMP, PNP, ENTPD5 POLA1 245/4885PDE3A 2999/4885PDE4D 2906/4885
US-20220409582-A1 COMBINATION THERAPIES COMPRISING PANOBINOSTAT FOR THE TREATMENT OF CHOLANGIOCARCINOMA HDAC6, HDAC3, CHKA POLA1 1009/4885PDE3A 3002/4885PDE4D 3270/4885
US-10662213-B2 Gemcitabine prodrugs TYMP, PNP, MTAP POLA1 593/4885PDE3A 823/4885PDE4D 545/4885
US-20170157162-A1 NUCLEOBASE ANALOGUE DERIVATIVES AND THEIR APPLICATIONS PNLIP, NT5C2, ENPP3 POLA1 486/4885PDE3A 775/4885PDE4D 688/4885
US-20230173079-A1 Conjugate Molecules CNR2, CNR1, MAG POLA1 4289/4885PDE3A 4385/4885PDE4D 3477/4885

“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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