Pemetrexed

Pemetrexed

SCHEMBL18348

Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)c[nH]c2[nH]1.[Na+].[Na+]

nearest known ligand 0.78

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

DHFRGARTTYMSthyA

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

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TYMS known ✓ P04818 5/20 0.78
GART known ✓ P22102 10/20 0.58
DHFR known ✓ P00374 6/20 0.58
FOLR1 P15328 4/20 0.58
SLC46A1 Q96NT5 4/20 0.58
FOLR2 P14207 3/20 0.58
SLC19A1 P41440 3/20 0.58
ATIC P31939 2/20 0.58
SHMT1 P34896 1/20 0.58
FRK P42685 1/20 0.58
LMNA P02545 1/20 0.42

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
Pemetrexed SCHEMBL1651788 1.00 TYMS (0.78) TYMSGARTDHFRFOLR1SLC46A1
Pemetrexed SCHEMBL5333210 1.00 TYMS (0.78) TYMSGARTDHFRFOLR1SLC46A1
Pemetrexed SCHEMBL2037608 0.99 TYMS (0.77) TYMSGARTDHFRFOLR1SLC46A1
Pemetrexed SCHEMBL21599244 0.99 TYMS (0.77) TYMSGARTDHFRFOLR1SLC46A1
Pemetrexed SCHEMBL1934530 0.99 TYMS (0.77) TYMSGARTDHFRFOLR1SLC46A1
Pemetrexed SCHEMBL135815 0.99 TYMS (0.77) TYMSGARTDHFRFOLR1SLC46A1
Pemetrexed SCHEMBL15649196 0.98 TYMS (0.75) TYMSGARTDHFRFOLR1SLC46A1
Pemetrexed SCHEMBL2268170 0.94 TYMS (0.70) TYMSGARTDHFRFOLR1SLC46A1
Pemetrexed SCHEMBL4987130 0.94 TYMS (0.69) TYMSGARTDHFRFOLR1SLC46A1
Pemetrexed SCHEMBL1271410 0.92 TYMS (0.68) TYMSGARTDHFRFOLR1SLC46A1

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

Appears in 22857 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122056884-A Methods of treating pancreatic cancer 坎莫森特里克斯公司 2026-05-19 CN claimed
US-20260132141-A1 PROTEIN PHOSPHATASE 2A ACTIVATORS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2026-05-14 US claimed
EP-4735445-A1 KRAS MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2026-05-06 EP claimed
EP-4735453-A1 KRAS MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2026-05-06 EP claimed
EP-3212193-B1 CRYSTALLINE FORMS OF PEMETREXED DIACID AND MANUFACTURING PROCESSES THEREFOR SCINOPHARM TAIWAN LTD (TW) 2026-04-15 EP claimed
EP-4709378-A1 COMPOUNDS FOR NOS-RELATED CANCERS AND METHODS OF USE Yissum Research Development Company of the Hebrew University of Jerusalem Ltd. (IL) 2026-03-18 EP claimed
US-20260069700-A1 BRUSH PRODRUGS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2026-03-12 US claimed
EP-4695260-A1 KRAS MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2026-02-18 EP claimed
US-20260027088-A1 Inhibitors of Glutathione S-Transferases (GSTS) and NAD(P)H:Quinone Oxidoreductase 1 (NQO1), Pharmaceutical Compositions, and Uses in Managing Cancer UNIV EMORY (US) 2026-01-29 US claimed
US-12509465-B2 Benzoimidazole derivatives as anticancer agents CENTRE LEON BERARD (FR) 2025-12-30 US claimed
CN-1679950-A Anticarcinogenic internal implant agent LANJIN BIOLOG ENGINEERING CO L (CN) 2005-10-12 CN claimed
CN-1491111-A Antiviral method of use 2004-04-21 CN claimed
US-20040067965-A1 Antiviral method of use BALOGH DOUGLAS WAYNE (US) 2004-04-08 US claimed
EP-1377296-A2 ANTIVIRAL METHOD OF USE ELI LILLY AND COMPANY (US) 2004-01-07 EP claimed
US-20030212038-A1 Novel antifolate combination therapies ELI LILLY AND COMPANY 2003-11-13 US claimed
EP-1313508-A2 COMBINATION CONTAINING AN ANTIFOLATE AND METHYLMALONIC ACID LOWERING AGENT ELI LILLY AND COMPANY (US) 2003-05-28 EP claimed
WO-2002101391-A2 METHOD OF USE ELI LILLY AND COMPANY (US) 2002-12-19 WO claimed
WO-2002069950-A2 TUMOR TREATEMENT WITH A COMBINATION OF A SUBSTRATE OF MRP5 AND MODULATORS OF MRP5 ELI LILLY AND COMPANY (US) 2002-09-12 WO claimed
WO-2002066037-A2 ANTIVIRAL METHOD OF USE ELI LILLY AND COMPANY (US) 2002-08-29 WO claimed
WO-2002002093-A2 COMBINATION CONTAINING AN ANTIFOLATE AND METHYLMALONIC ACID LOWERING AGENT ELI LILLY AND COMPANY (US) 2002-01-10 WO claimed