Trimetrexate

Trimetrexate

SCHEMBL3635

COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 10/20 0.70
MEN1 O00255 1/20 0.70
ALDH1A1 P00352 1/20 0.70
ESR1 P03372 1/20 0.70
CHRM2 P08172 1/20 0.70
HTR1A P08908 1/20 0.70
MAPT P10636 1/20 0.70
CHRM1 P11229 1/20 0.70
HPGD P15428 1/20 0.70
MAOA P21397 1/20 0.70
DRD1 P21728 1/20 0.70
ACHE P22303 1/20 0.70
PTGS1 P23219 1/20 0.70
SLC6A2 P23975 1/20 0.70
PDE4A P27815 1/20 0.70
OPRM1 P35372 1/20 0.70
DRD3 P35462 1/20 0.70
BLM P54132 1/20 0.70
SLC6A3 Q01959 1/20 0.70
KMT2A Q03164 1/20 0.70

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
Trimetrexate SCHEMBL30090901 1.00 DHFR (0.70) DHFRMEN1ALDH1A1ESR1CHRM2
Trimetrexate SCHEMBL31237598 1.00 DHFR (0.70) DHFRMEN1ALDH1A1ESR1CHRM2
Trimetrexate SCHEMBL8041825 0.99 DHFR (0.69) DHFRMEN1ALDH1A1ESR1CHRM2
Trimetrexate SCHEMBL1299257 0.90 DHFR (0.71) DHFRMEN1ALDH1A1ESR1CHRM2
Trimetrexate SCHEMBL8588679 0.87 DHFR (0.81) DHFRMEN1ALDH1A1ESR1CHRM2
Trimetrexate SCHEMBL7099424 0.87 DHFR (0.88) DHFRMEN1ALDH1A1ESR1CHRM2
Trimetrexate SCHEMBL8037940 0.87 DHFR (0.80) DHFRMEN1ALDH1A1ESR1CHRM2
Trimetrexate SCHEMBL7099127 0.86 DHFR (0.86) DHFRMEN1ALDH1A1ESR1CHRM2
Trimetrexate SCHEMBL10701228 0.84 DHFR (1.00) DHFRMEN1ALDH1A1ESR1CHRM2
Trimetrexate SCHEMBL3983 0.84 DHFR (1.00) DHFRMEN1ALDH1A1ESR1CHRM2

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 10673 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260116861-A1 ISOXAZOLE HYDROXAMIC ACIDS AS HISTONE DEACETYLASE 6 INHIBITORS THE GEORGE WASHINGTON UNIVERSITY, A CONGRESSIONALLY CHARTERED NOT-FOR-PROFIT CORPORATION (US) 2026-04-30 US claimed
US-20260076872-A1 POLYMER VIALS WITH SUBSTANTIALLY FLAT BOTTOMS AND INJECTION STRETCH BLOW MOLDING METHODS FOR MAKING THE SAME SIO2 MEDICAL PRODUCTS LLC (US) 2026-03-19 US claimed
US-12522572-B2 Isoxazole hydroxamic acids as histone deacetylase 6 inhibitors THE GEORGE WASHINGTON UNIVERSITY, A CONGRESSIONALLY CHARTERED NOT-FOR-PROFIT CORPORATION (US) 2026-01-13 US claimed
US-20250242092-A1 SiOx BARRIER FOR PHARMACEUTICAL PACKAGE AND COATING PROCESS SIO2 MEDICAL PRODUCTS INC (US) 2025-07-31 US claimed
US-12257371-B2 SiOx barrier for pharmaceutical package and coating process SIO2 MEDICAL PRODUCTS, LLC (US) 2025-03-25 US claimed
EP-4524131-A1 SMALL MOLECULES FOR TREATING CANCER, INHABITING CHEMOKINE ACTIVITY AND/OR INDUCING CELL DEATH AlonBio Ltd. (IL) 2025-03-19 EP claimed
US-12202803-B2 Small molecules for treating cancer, inhibiting chemokine activity and/or inducing cell death ALONBIO LTD. (IL) 2025-01-21 US claimed
US-20240343697-A1 ISOXAZOLE HYDROXAMIC ACIDS AS HISTONE DEACETYLASE 6 INHIBITORS THE GEORGE WASHINGTON UNIVERSITY, A CONGRESSIONALLY CHARTERED NOT-FOR-PROFIT CORPORATION (US) 2024-10-17 US claimed
US-12109219-B2 Cannabinoid receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2024-10-08 US claimed
WO-2024162488-A1 PHARMACEUTICAL COMPOSITION COMPRISING CUCURBITACIN D FOR PREVENTING OR TREATING NEUROPATHIC PAIN 주식회사 재인알앤피 2024-08-08 WO claimed
WO-2005048942-A2 COMBINATION THERAPY COMPRISING A COX-2 INHIBITOR AND AN ANTINEOPLASTIC AGENT PHARMACIA CORPORATION (US) 2005-06-02 WO claimed
CN-1152687-C Trimetrexate crystal and preparation method thereof E 2004-06-09 CN claimed
US-20040092583-A1 Treatment for inhibiting neoplastic lesions SHANAHAN-PRENDERGAST ELIZABETH (IE) 2004-05-13 US claimed
EP-1351678-A2 TREATMENT FOR INHIBITING NEOPLASTIC LESIONS USING INCENSOLE AND/OR FURANOGERMACRENS Shanahan-Prendergast, Elizabeth (IE) 2003-10-15 EP claimed
WO-2002053138-A2 TREATMENT FOR INHIBITING NEOPLASTIC LESIONS USING INCENSOLE AND/OR FURANOGERMACRENS SHANAHAN-PRENDERGAST ELISABETH (IE) 2002-07-11 WO claimed
US-6017921-A Crystalline trimetrexate salts and the process for making the same U.S. BIOSCIENCE, INC. (US) 2000-01-25 US claimed
CN-1177925-A Trimetrexate crystal and preparation method thereof PAUL E KENNEDY (US) 1998-04-01 CN claimed
EP-0051415-B1 WATER-SOLUBLE SALTS OF 2,4-DIAMINO-5-METHYL-6-((3,4,5-TRIMETHOXYANILINO)METHYL)QUINAZOLINE, COMPOSITIONS CONTAINING SUCH SALTS AND THE PRODUCTION OF SUCH SALTS WARNER-LAMBERT COMPANY (US) 1984-11-14 EP claimed
US-4376858-A TREATING MALARIA AND BACTERIAL INFECTIONS WARNER LAMBERT COMPANY (US) 1983-03-15 US claimed
EP-0051415-A1 Water-soluble salts of 2,4-diamino-5-methyl-6-((3,4,5-trimethoxyanilino)methyl)quinazoline, compositions containing such salts and the production of such salts WARNER-LAMBERT COMPANY (US) 1982-05-12 EP claimed