Methotrexate

Methotrexate

SCHEMBL1000841

CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1.[NaH].[NaH]

nearest known ligand 0.98

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

DHFR

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

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHFR known ✓ P00374 4/20 0.98
▸ FPGS Q05932 3/20 0.98
▸ KDM4E B2RXH2 1/20 0.98
▸ TLR4 O00206 1/20 0.98
▸ MEN1 O00255 1/20 0.98
▸ ALDH1A1 P00352 1/20 0.98
▸ LMNA P02545 1/20 0.98
▸ TP53 P04637 1/20 0.98
▸ TYMS P04818 1/20 0.98
▸ GLA P06280 1/20 0.98
▸ POLB P06746 1/20 0.98
▸ HMGB1 P09429 1/20 0.98
▸ MAPT P10636 1/20 0.98
▸ FOLR2 P14207 1/20 0.98
▸ FOLR1 P15328 1/20 0.98
▸ HPGD P15428 1/20 0.98
▸ ALOX15 P16050 1/20 0.98
▸ ALOX12 P18054 1/20 0.98
▸ GART P22102 1/20 0.98
▸ APEX1 P27695 1/20 0.98

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
Methotrexate SCHEMBL4136 1.00 DHFR (0.98) DHFRFPGSKDM4ETLR4MEN1
Methotrexate SCHEMBL11175892 1.00 DHFR (0.98) DHFRFPGSKDM4ETLR4MEN1
Methotrexate SCHEMBL406878 1.00 DHFR (0.98) DHFRFPGSKDM4ETLR4MEN1
Methotrexate SCHEMBL5307856 1.00 DHFR (0.98) DHFRFPGSKDM4ETLR4MEN1
Methotrexate SCHEMBL171251 0.99 DHFR (1.00) DHFRFPGSKDM4ETLR4MEN1
Methotrexate SCHEMBL2301949 0.99 DHFR (1.00) DHFRFPGSKDM4ETLR4MEN1
Methotrexate SCHEMBL3711 0.99 DHFR (1.00) DHFRFPGSKDM4ETLR4MEN1
Methotrexate SCHEMBL20548444 0.99 DHFR (1.00) DHFRFPGSKDM4ETLR4MEN1
Methotrexate SCHEMBL8216266 0.99 DHFR (1.00) DHFRFPGSKDM4ETLR4MEN1
Methotrexate SCHEMBL16013534 0.99 DHFR (1.00) DHFRFPGSKDM4ETLR4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122075790-A Drug-loaded polypyrrole interdigital microelectrode and preparation method and application thereof — 2026-05-26 — — CN claimed
CN-119770703-A Thermosensitive liquid embolic agent, preparation method thereof and thermosensitive composite embolic agent 科睿驰(深圳)医疗科技发展有限公司 2025-04-08 — — CN claimed
US-20250041216-A1 Methotrexate Composition ROSEMONT PHARMACEUTICALS LTD (GB) 2025-02-06 — — US claimed
US-11969503-B2 Methotrexate composition ROSEMONT PHARMACEUTICALS LTD (GB) 2024-04-30 — — US claimed
US-20230233464-A1 Methotrexate Composition ROSEMONT PHARMACEUTICALS LTD (GB) 2023-07-27 — — US claimed
US-20210401742-A1 Methotrexate Composition ROSEMONT PHARMACEUTICALS LTD. (GB) 2021-12-30 — — US claimed
US-11116724-B2 Methotrexate composition Rosemount Pharmaceuticals Ltd (GB) 2021-09-14 — — US claimed
CN-108451931-B PAH/F polyelectrolyte compound nano-carrier and preparation method thereof 华侨大学 2021-04-30 — — CN claimed
US-20200237664-A1 Methotrexate Composition ROSEMONT PHARMACEUTICALS LTD (GB) 2020-07-30 — — US claimed
US-10610485-B2 Methotrexate composition ROSEMONT PHARMACEUTICALS LTD (GB) 2020-04-07 — — US claimed
US-9855215-B2 Methotrexate composition ROSEMONT PHARMACEUTICALS LTD. (GB) 2018-01-02 — — US claimed
US-20160151281-A1 Methotrexate Composition ROSEMONT PHARMACEUTICALS LTD. (GB) 2016-06-02 — — US claimed
US-9259427-B2 Methotrexate composition ROSEMONT PHARMACEUTICALS LTD (GB) 2016-02-16 — — US claimed
EP-2614814-A1 Methotrexate composition Rosemont Pharmaceuticals Ltd (GB) 2013-07-17 — — EP claimed
US-20130178476-A1 METHOTREXATE COMPOSITION ROSEMONT PHARMACEUTICALS LTD (GB) 2013-07-11 — — US claimed
US-7901453-B2 Coated implantable medical device COOK INCORPORATED (US) 2011-03-08 — — US claimed
US-20080145399-A1 coronary stent has a multilayer coatings for controlled release of immunosuppressive agent active materials, including a porous cover layer COOK MEDICAL TECHNOLOGIES LLC 2008-06-19 — — US claimed
US-20080145398-A1 coronary stent has a multilayer coatings for controlled release of immunosuppressive agent active materials, including a porous cover layer WILMINGTON TRUST, NATIONAL ASSOCIATION, AS COLLATERAL AGENT 2008-06-19 — — US claimed
US-20050101605-A1 Oral liquid formulations of methotrexate DURAMED PHARMACEUTICALS, INC. 2005-05-12 — — US claimed
US-20030036794-A1 Coated implantable medical device COOK INCORPORATED 2003-02-20 — — US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20050101605-A1 Oral liquid formulations of methotrexate MTX2, MTX1, DHFR DHFR 3/4885FPGS 10/4885KDM4E 2601/4885

“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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