SCHEMBL207072

SCHEMBL207072

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

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TYMS P04818 17/20 0.49
DHFR P00374 4/20 0.49
FOLR2 P14207 1/20 0.49
FOLR1 P15328 1/20 0.49
GART P22102 1/20 0.49
ATIC P31939 1/20 0.49
SHMT1 P34896 1/20 0.49
SLC19A1 P41440 1/20 0.49
FRK P42685 1/20 0.49
SLC46A1 Q96NT5 1/20 0.49
MBOAT4 Q96T53 1/20 0.45

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
SCHEMBL28417050 0.93 TYMS (0.45) TYMSDHFRFOLR2FOLR1GART
SCHEMBL1238667 0.86 TYMS (0.46) TYMSDHFRFOLR2FOLR1GART
SCHEMBL28422384 0.85 TYMS (0.43) TYMSDHFRFOLR2FOLR1GART
SCHEMBL18780148 0.82 TYMS (0.39) TYMSDHFRFOLR2FOLR1GART
SCHEMBL17200119 0.82 TYMS (0.39) TYMSDHFRFOLR2FOLR1GART
SCHEMBL10324414 0.82 GART (0.65) TYMSDHFRFOLR2FOLR1GART
Pemetrexed SCHEMBL2549428 0.81 GART (0.77) TYMSDHFRFOLR2FOLR1GART
Pemetrexed SCHEMBL7969 0.81 GART (0.77) TYMSDHFRFOLR2FOLR1GART
Pemetrexed SCHEMBL7968 0.81 GART (0.77) TYMSDHFRFOLR2FOLR1GART
Pemetrexed SCHEMBL6034765 0.81 GART (0.77) TYMSDHFRFOLR2FOLR1GART

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111333658-A Preparation method of pemetrexed disodium hydrate 贵州联科中贝制药科技有限公司 2020-06-26 CN claimed
EP-2675808-A2 PROCESS FOR PEMETREXED DISODIUM Hetero Research Foundation (IN) 2013-12-25 EP claimed
US-20130165654-A1 PROCESSES FOR PREPARING PEMETREXED DR. REDDY'S LABORATORIES, INC. (US) 2013-06-27 US claimed
WO-2012111027-A2 PROCESS FOR PEMETREXED DISODIUM HETERO RESEARCH FOUNDATION (IN) 2012-08-23 WO claimed
EP-2464650-A2 PROCESSES FOR PREPARING PEMETREXED Dr. Reddy's Laboratories, Ltd. (IN) 2012-06-20 EP claimed
US-20110124861-A1 Process for Preparing Pemetrexed Disodium and Its Intermediate, 4-(4-Carbomethoxyphenyl) Butanal SHANGHAI CDYMAX PHARMACEUTICALS CO., LTD (CN) 2011-05-26 US claimed
EP-2301909-A1 PROCESSES FOR PREPARING PEMETREXED DISODIUM AND ITS INTERMEDIATE,4-(4-CARBOMETHOXYPHENYL)BUTANAL Shanghai Cdymax Pharmaceuticals Co., Ltd (CN) 2011-03-30 EP claimed
WO-2011019986-A2 PROCESSES FOR PREPARING PEMETREXED DR. REDDY'S LABORATORIES LTD. (IN) 2011-02-17 WO claimed
CN-120424080-A Confession is banked up with earth and is met with earth preparation of trastuffer disodium preparation method of used intermediate 湖南赛隆药业(长沙)有限公司 2025-08-05 CN disclosed
CN-118619955-A Preparation method and application of pemetrexed key intermediate 江苏海洋大学 2024-09-10 CN disclosed
US-20240165016-A1 INTRAVENOUS INFUSION DOSAGE FORM FOR PEMETREXED SUN PHARMACEUTICAL INDUSTRIES LTD (IN) 2024-05-23 US disclosed
CN-116768901-A Preparation method of pemetrexed disodium 贵州阜康仁制药有限公司 2023-09-19 CN disclosed
CN-116768901-A Preparation method of pemetrexed disodium 贵州阜康仁制药有限公司 2023-09-19 CN disclosed
EP-3804686-B1 INTRAVENOUS INFUSION DOSAGE FORM FOR PEMETREXED SUN PHARMACEUTICAL IND LTD (IN) 2023-08-30 EP disclosed
EP-0905128-B1 Processes and intermediates useful to make antifolates LILLY CO ELI (US) 2002-02-20 EP disclosed
US-20010011142-A1 Processes and intermediates useful to make antifolates KJELL DOUGLAS PATTON (US) 2001-08-02 US disclosed
US-6262262-B1 PRODUCING 4-(2-(2-AMINO-4,7-DIHYDRO-4-OXO-1H-PYRROLO(2, 3-D)PYRIMIDIN-5-YL)ETHYL)BENZOIC ACID DERIVATIVE BY REACTING HYDROXY-4-(4-CARBOMETHOXYPHENYL)BUTANESULFONIC ACID METAL SALT WITH TRIALKYLSILYL HALIDE; REACTING WITH ELI LILLY AND COMPANY 2001-07-17 US disclosed
US-6090168-A Processes and intermediates useful to make antifolates ELI LILLY AND COMPANY (US) 2000-07-18 US 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 (4 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-20110124861-A1 Process for Preparing Pemetrexed Disodium and Its Intermediate, 4-(4-Carbomethoxyphenyl) Butanal BPGM, PCNA, BRD1 TYMS 11/4885DHFR 64/4885FOLR2 1413/4885
US-20240165016-A1 INTRAVENOUS INFUSION DOSAGE FORM FOR PEMETREXED SLC19A1, FOLR2, SLC29A1 TYMS 34/4885DHFR 31/4885FOLR2 2/4885
US-20130165654-A1 PROCESSES FOR PREPARING PEMETREXED TYMP, TYMS, DPYD TYMS 2/4885DHFR 10/4885FOLR2 74/4885
US-20010011142-A1 Processes and intermediates useful to make antifolates DPYD, DHFR, MPST TYMS 10/4885DHFR 2/4885FOLR2 33/4885

“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.