Pemetrexed

Pemetrexed

SCHEMBL108860

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

nearest known ligand 0.76

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
▸ GART known ✓ P22102 10/20 0.76
▸ DHFR known ✓ P00374 6/20 0.76
▸ TYMS known ✓ P04818 5/20 0.76
▸ FOLR1 P15328 4/20 0.76
▸ SLC46A1 Q96NT5 4/20 0.76
▸ ATIC P31939 3/20 0.76
▸ FOLR2 P14207 3/20 0.76
▸ SLC19A1 P41440 3/20 0.76
▸ SHMT1 P34896 2/20 0.76
▸ FRK P42685 1/20 0.76
▸ SHMT2 P34897 1/20 0.53

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 SCHEMBL3760710 1.00 GART (0.76) GARTDHFRTYMSFOLR1SLC46A1
Pemetrexed SCHEMBL1934793 1.00 GART (0.76) GARTDHFRTYMSFOLR1SLC46A1
Pemetrexed SCHEMBL124663 1.00 GART (0.76) GARTDHFRTYMSFOLR1SLC46A1
Pemetrexed SCHEMBL577951 0.99 GART (0.75) GARTDHFRTYMSFOLR1SLC46A1
Pemetrexed SCHEMBL21600667 0.99 GART (0.75) GARTDHFRTYMSFOLR1SLC46A1
Pemetrexed SCHEMBL15569564 0.99 GART (0.75) GARTDHFRTYMSFOLR1SLC46A1
Pemetrexed SCHEMBL2549428 0.99 GART (0.77) GARTDHFRTYMSFOLR1SLC46A1
Pemetrexed SCHEMBL7968 0.99 GART (0.77) GARTDHFRTYMSFOLR1SLC46A1
Pemetrexed SCHEMBL7969 0.99 GART (0.77) GARTDHFRTYMSFOLR1SLC46A1
Pemetrexed SCHEMBL6034765 0.99 GART (0.77) GARTDHFRTYMSFOLR1SLC46A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117717564-A Application of antisense oligonucleotide in preparing medicine for treating lung cancer 北京悦康科创医药科技股份有限公司 2024-03-19 — — CN claimed
CN-115608309-A Production method of high-purity pemetrexed disodium 连云港贵科药业有限公司 2023-01-17 — — CN claimed
CN-114206392-A Immunomodulatory agent antibody drug conjugates and uses thereof 苏特罗生物制药公司 2022-03-18 — — CN claimed
CN-106466299-B Blank liposome taking ginsenoside as membrane material, preparation method and application thereof 上海本素医药科技有限公司 2021-09-28 — — CN claimed
CN-108135168-B CCR2 modulators 凯莫森特里克斯股份有限公司 2021-07-20 — — CN claimed
CN-111060615-A Method for detecting additive in pemetrexed disodium product 上海微谱化工技术服务有限公司 2020-04-24 — — CN claimed
WO-2019244965-A1 PEMETREXED SODIUM INJECTION SOLUTION FORMULATION AND MANUFACTURING METHOD THEREFOR 日本化薬株式会社 2019-12-26 — — WO claimed
US-9090633-B2 Substituted 4-(arylamino) selenophenopyrimidine compounds and methods of use thereof KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LIMITED (IN) 2015-07-28 — — US claimed
EP-2648509-B1 SUBSTITUTED 4-(ARYLAMINO) SELENOPHENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LTD (IN) 2015-04-29 — — EP claimed
US-20140066463-A1 SOLID FORMS OF PEMETREXED DR. REDDY'S LABORATORIES, INC. (US) 2014-03-06 — — US claimed
US-20130287767-A1 SUBSTITUTED 4-(ARYLAMINO) SELENOPHENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LIMITED (IN) 2013-10-31 — — US claimed
EP-2648509-A2 SUBSTITUTED 4-(ARYLAMINO) SELENOPHENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF Kasina Laila Innova Pharmaceuticals Private Ltd. (IN) 2013-10-16 — — EP claimed
US-8507508-B2 Solid forms of pemetrexed DR. REDDY'S LABORATORIES LIMITED (IN) 2013-08-13 — — US claimed
WO-2012077135-A2 SUBSTITUTED 4-(ARYLAMINO) SELENOPHENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LIMITED (IN) 2012-06-14 — — WO claimed
US-20100063072-A1 SOLID FORMS OF PEMETREXED DR. REDDY'S LABORATORIES LTD. (IN) 2010-03-11 — — US claimed
EP-2129674-A2 SOLID FORMS OF PEMETREXED Dr. Reddy's Laboratories Ltd. (IN) 2009-12-09 — — EP claimed
WO-2008124485-A2 SOLID FORMS OF PEMETREXED DR. REDDY'S LABORATORIES LTD. (IN) 2008-10-16 — — WO claimed
CN-113453684-B CSF1R inhibitors for the treatment of cancer 德西费拉制药有限责任公司 2024-05-14 — — CN disclosed
US-6013828-A Processes and intermediates useful to make antifolates ELI LILLY AND COMPANY (US) 2000-01-11 — — US disclosed
EP-0905128-A1 Processes and intermediates useful to make antifolates ELI LILLY AND COMPANY (US) 1999-03-31 — — EP 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-20130287767-A1 SUBSTITUTED 4-(ARYLAMINO) SELENOPHENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF SELENOI, VHL, DPYD GART 2842/4885DHFR 97/4885TYMS 581/4885
US-20140066463-A1 SOLID FORMS OF PEMETREXED TYMP, TYMS, HPRT1 GART 21/4885DHFR 10/4885TYMS 2/4885

“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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