Pemetrexed

Pemetrexed

SCHEMBL2549428

Nc1nc(=O)c2c(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c[nH]c2[nH]1

nearest known ligand 0.77

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 0.77
▸ DHFR known ✓ P00374 6/20 0.77
▸ TYMS known ✓ P04818 5/20 0.77
▸ FOLR1 P15328 4/20 0.77
▸ SLC46A1 Q96NT5 4/20 0.77
▸ ATIC P31939 3/20 0.77
▸ FOLR2 P14207 3/20 0.77
▸ SLC19A1 P41440 3/20 0.77
▸ SHMT1 P34896 2/20 0.77
▸ FRK P42685 1/20 0.77
▸ SHMT2 P34897 1/20 0.54

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 SCHEMBL6034765 1.00 GART (0.77) GARTDHFRTYMSFOLR1SLC46A1
Pemetrexed SCHEMBL7968 1.00 GART (0.77) GARTDHFRTYMSFOLR1SLC46A1
Pemetrexed SCHEMBL7969 1.00 GART (0.77) GARTDHFRTYMSFOLR1SLC46A1
Pemetrexed SCHEMBL15648731 0.99 GART (0.76) GARTDHFRTYMSFOLR1SLC46A1
Pemetrexed SCHEMBL124673 0.99 GART (0.76) GARTDHFRTYMSFOLR1SLC46A1
Pemetrexed SCHEMBL108860 0.99 GART (0.76) GARTDHFRTYMSFOLR1SLC46A1
Pemetrexed SCHEMBL126068 0.99 GART (0.76) GARTDHFRTYMSFOLR1SLC46A1
Pemetrexed SCHEMBL3388816 0.99 GART (0.76) GARTDHFRTYMSFOLR1SLC46A1
Pemetrexed SCHEMBL19411240 0.99 GART (0.76) GARTDHFRTYMSFOLR1SLC46A1
Pemetrexed SCHEMBL124663 0.99 GART (0.76) 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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106478632-B Novel crystal form of pemetrexed diacid and preparation method thereof 江苏豪森药业集团有限公司 2020-11-27 — — CN claimed
CN-102056609-B Pharmaceutical combination BOEHRINGER INGELHEIM INT 2012-12-05 — — CN claimed
EP-3675819-B1 STABLE LIQUID COMPOSITIONS OF PEMETREXED FRESENIUS KABI ONCOLOGY LTD (IN) 2026-01-14 — — EP disclosed
US-20220151923-A1 STABLE LIQUID COMPOSITIONS OF PEMETREXED FRESENIUS KABI ONCOLOGY LIMITED (IN) 2022-05-19 — — US disclosed
CN-114302746-A Combination therapy comprising an anti-CD 25 antibody drug conjugate and another agent ADC治疗有限公司 2022-04-08 — — CN disclosed
CN-109152778-B Pemetrexed preparation 鹰制药股份有限公司 2021-08-10 — — CN disclosed
CN-112043829-A Treatment and prognostic monitoring of proliferative disorders using HEDGEHOG pathway inhibitors 梅恩医药国际有限公司 2020-12-08 — — CN disclosed
CN-106478632-B Novel crystal form of pemetrexed diacid and preparation method thereof 江苏豪森药业集团有限公司 2020-11-27 — — CN disclosed
WO-2020207397-A1 METHOD FOR PURIFYING PEMETREXED INTERMEDIATE 重庆迈德凯医药有限公司 2020-10-15 — — WO disclosed
US-10792285-B2 Stabilized pharmaceutical composition containing pemetrexed or pharmaceutically acceptable salt thereof CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2020-10-06 — — US disclosed
US-10792285-B2 Stabilized pharmaceutical composition containing pemetrexed or pharmaceutically acceptable salt thereof CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2020-10-06 — — US disclosed
WO-2015089068-A1 DEVICES AND METHODS FOR DETERMINING AND/OR ISOLATING CELLS SUCH AS CIRCULATING CANCER OF FETAL CELLS ANALIZA, INC. (US) 2015-06-18 — — WO disclosed
WO-2014198337-A1 STABLE AND WATER SOLUBLE PHARMACEUTICAL COMPOSITIONS COMPRISING PEMETREXED SYNTHON B.V. (NL) 2014-12-18 — — WO disclosed
WO-2014198338-A1 STABLE PEMETREXED ARGININE SALT AND COMPOSITIONS COMPRISING IT SYNTHON B.V. (NL) 2014-12-18 — — WO disclosed
WO-2014084651-A1 A STABILIZED PEMETREXED FORMULATION CJ HEALTHCARE CORPORATION (KR) 2014-06-05 — — WO disclosed
US-8362245-B2 Processes for preparing intermediates of pemetrexed SICOR INC. (US) 2013-01-29 — — US disclosed
CN-102056609-B Pharmaceutical combination BOEHRINGER INGELHEIM INT 2012-12-05 — — CN disclosed
US-20110263851-A1 PROCESSES FOR PREPARING INTERMEDIATES OF PEMETREXED SICOR INC. (US) 2011-10-27 — — US disclosed
CN-101325955-A Methods of treating cancer with SAHA and pemetrexed MERCK & CO INC (US) 2008-12-17 — — CN disclosed
WO-2008097546-A2 COMPOUNDS THAT INHIBIT CHOLINESTERASE COLUCID PHARMACEUTICALS, INC. (US) 2008-08-14 — — 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 (3 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-10792285-B2 Stabilized pharmaceutical composition containing pemetrexed or pharmaceutically acceptable salt thereof MTHFD1, TYMP, TYMS GART 23/4885DHFR 6/4885TYMS 3/4885
US-20110263851-A1 PROCESSES FOR PREPARING INTERMEDIATES OF PEMETREXED DPYD, TYMP, TYMS GART 193/4885DHFR 5/4885TYMS 3/4885
US-20220151923-A1 STABLE LIQUID COMPOSITIONS OF PEMETREXED H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, DCTD, PDCD5 GART 130/4885DHFR 101/4885TYMS 20/4885

“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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