Gemcitabine

Gemcitabine

SCHEMBL12737233

Nc1ccn(C2O[C@H](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 SCHEMBL19235640 1.00 PDE3A (1.00) PDE3APDE4DSLC29A1POLA1LMNA
Gemcitabine SCHEMBL6369622 1.00 PDE3A (1.00) PDE3APDE4DSLC29A1POLA1LMNA
Gemcitabine SCHEMBL13262185 1.00 PDE3A (1.00) PDE3APDE4DSLC29A1POLA1LMNA
Gemcitabine SCHEMBL19526092 1.00 PDE3A (1.00) PDE3APDE4DSLC29A1POLA1LMNA
Gemcitabine SCHEMBL6761683 1.00 PDE3A (1.00) PDE3APDE4DSLC29A1POLA1LMNA
Gemcitabine SCHEMBL17858716 1.00 PDE3A (1.00) PDE3APDE4DSLC29A1POLA1LMNA
Gemcitabine SCHEMBL12503065 1.00 PDE3A (1.00) PDE3APDE4DSLC29A1POLA1LMNA
Gemcitabine SCHEMBL249738 1.00 PDE3A (1.00) PDE3APDE4DSLC29A1POLA1LMNA
Gemcitabine SCHEMBL20827751 1.00 PDE3A (1.00) PDE3APDE4DSLC29A1POLA1LMNA
Gemcitabine SCHEMBL9143689 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-9434610-B2 HPMA—docetaxel conjugates and uses therefore REXAHN PHARMACEUTICALS, INC. (US) 2016-09-06 US disclosed
US-9434610-B2 HPMA—docetaxel conjugates and uses therefore REXAHN PHARMACEUTICALS, INC. (US) 2016-09-06 US disclosed
US-20150071872-A1 POLYMERIC SYSTEMS FOR THE DELIVERY OF ANTICANCER DRUGS REXAHN PHARMACEUTICALS INC (US) 2015-03-12 US disclosed
US-20150071872-A1 POLYMERIC SYSTEMS FOR THE DELIVERY OF ANTICANCER DRUGS REXAHN PHARMACEUTICALS INC (US) 2015-03-12 US disclosed
US-8846110-B2 Polymeric systems for the delivery of anticancer drugs REXAHN PHARMACEUTICALS, INC. (US) 2014-09-30 US disclosed
US-8846110-B2 Polymeric systems for the delivery of anticancer drugs REXAHN PHARMACEUTICALS, INC. (US) 2014-09-30 US disclosed
US-8324373-B2 Highly stereoselective process for preparing gemcitabine and intermediates thereof Nanjing Cavendish Bio-Engineering Technology Co., Ltd. (CN) 2012-12-04 US disclosed
WO-2011047051-A2 POLYMERIC SYSTEMS FOR THE DELIVERY OF ANTICANCER AGENTS REXAHN PHARMACEUTICALS, INC. (US) 2011-04-21 WO disclosed
US-20110086111-A1 POLYMERIC SYSTEMS FOR THE DELIVERY OF ANTICANCER DRUGS REXAHN PHARMACEUTICALS, INC. (US) 2011-04-14 US disclosed
US-20110086111-A1 POLYMERIC SYSTEMS FOR THE DELIVERY OF ANTICANCER DRUGS REXAHN PHARMACEUTICALS, INC. (US) 2011-04-14 US disclosed
US-20100179314-A1 Novel and Highly Stereoselective Process for Preparing Gemcitabine and Intermediates Thereof NANJING CAVENDISH BIO-ENGINEERING TECHNOLOGY CO., (CN) 2010-07-15 US disclosed
US-20100099644-A1 HPMA - DOCETAXEL OR GEMCITABINE CONJUGATES AND USES THEREFORE REXAHN PHARMACEUTICALS, INC. 2010-04-22 US disclosed
WO-2010042638-A2 HPMA - DOCETAXEL OR GEMCITABINE CONJUGATES AND USES THEREFORE LEE YOUNG BOK (US) 2010-04-15 WO disclosed
US-20090124797-A1 NOVEL SYNTHESIS OF BETA-NUCLEOSIDES PHARMAESSENTIA CORPORATION (TW) 2009-05-14 US disclosed
US-20070249823-A1 PROCESS FOR PREPARING GEMCITABINE AND ASSOCIATED INTERMEDIATES CHEMAGIS LTD. (IL) 2007-10-25 US disclosed
US-7214791-B2 Method for preparation of 2′-deoxy-2′, 2′-difluoro-β-cytidine or pharmaceutically acceptable salts thereof by using 1,6-anhydro-β-d-glucose as raw material SHENZHEN HANDE TECHNOLOGY CO., LTD. (CN) 2007-05-08 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 (6 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-20110086111-A1 POLYMERIC SYSTEMS FOR THE DELIVERY OF ANTICANCER DRUGS APEH, LNPEP, CPA3 POLA1 1201/4885PDE3A 1777/4885PDE4D 3558/4885
US-20070249823-A1 PROCESS FOR PREPARING GEMCITABINE AND ASSOCIATED INTERMEDIATES DPYD, PARP1, PARP2 POLA1 222/4885PDE3A 1339/4885PDE4D 515/4885
US-20100179314-A1 Novel and Highly Stereoselective Process for Preparing Gemcitabine and Intermediates Thereof KRAS, TYMP, TYMS POLA1 194/4885PDE3A 2935/4885PDE4D 1099/4885
US-20100099644-A1 HPMA - DOCETAXEL OR GEMCITABINE CONJUGATES AND USES THEREFORE HPGDS, HDGF, DPYD POLA1 702/4885PDE3A 1784/4885PDE4D 2591/4885
US-20090124797-A1 NOVEL SYNTHESIS OF BETA-NUCLEOSIDES DUT, DCTD, UMPS POLA1 137/4885PDE3A 2259/4885PDE4D 400/4885
US-20150071872-A1 POLYMERIC SYSTEMS FOR THE DELIVERY OF ANTICANCER DRUGS APEH, LNPEP, CPA3 POLA1 1201/4885PDE3A 1777/4885PDE4D 3558/4885

“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.