Pralatrexate

Pralatrexate

SCHEMBL1889869

C#CC[C@H](Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

DHFR

The experimentally established mechanism targets of Pralatrexate. 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 14/20 1.00
FOLR1 P15328 2/20 1.00
SLC19A1 P41440 2/20 1.00
SLC46A1 Q96NT5 2/20 1.00
KDM4E B2RXH2 1/20 0.65
TLR4 O00206 1/20 0.65
MEN1 O00255 1/20 0.65
ALDH1A1 P00352 1/20 0.65
LMNA P02545 1/20 0.65
TP53 P04637 1/20 0.65
TYMS P04818 1/20 0.65
GLA P06280 1/20 0.65
POLB P06746 1/20 0.65
HMGB1 P09429 1/20 0.65
MAPT P10636 1/20 0.65
FOLR2 P14207 1/20 0.65
HPGD P15428 1/20 0.65
ALOX15 P16050 1/20 0.65
ALOX12 P18054 1/20 0.65
GART P22102 1/20 0.65

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
Pralatrexate SCHEMBL29904921 1.00 DHFR (1.00) DHFRFOLR1SLC19A1SLC46A1KDM4E
Pralatrexate SCHEMBL15075302 1.00 DHFR (1.00) DHFRFOLR1SLC19A1SLC46A1KDM4E
Pralatrexate SCHEMBL1890561 1.00 DHFR (1.00) DHFRFOLR1SLC19A1SLC46A1KDM4E
Pralatrexate SCHEMBL21633 1.00 DHFR (1.00) DHFRFOLR1SLC19A1SLC46A1KDM4E
Pralatrexate SCHEMBL2336143 1.00 DHFR (1.00) DHFRFOLR1SLC19A1SLC46A1KDM4E
Pralatrexate SCHEMBL29355142 1.00 DHFR (1.00) DHFRFOLR1SLC19A1SLC46A1KDM4E
Pralatrexate SCHEMBL29904925 1.00 DHFR (1.00) DHFRFOLR1SLC19A1SLC46A1KDM4E
Pralatrexate SCHEMBL17554355 0.99 DHFR (0.98) DHFRFOLR1SLC19A1SLC46A1KDM4E
Pralatrexate SCHEMBL17554353 0.99 DHFR (0.98) DHFRFOLR1SLC19A1SLC46A1KDM4E
Pralatrexate SCHEMBL28201941 0.99 DHFR (0.98) DHFRFOLR1SLC19A1SLC46A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2531193-B1 DIASTEREOMERS OF 10-PROPARGYL-10-DEAZAAMINOPTERIN FOR USE IN THE TREATMENT OF LUNG CANCER ALLOS THERAPEUTICS INC (US) 2016-07-20 EP claimed
US-9187481-B2 (2S)-2-[[4-[(1R)-1-[(2,4-diaminopteridin-6-yl)methyl]but-3-ynyl]benzoyl]amin]pentanedioic acid for the treatment of inflammatory disorders ALLOS THERAPEUTICS, INC. (US) 2015-11-17 US claimed
US-20140364437-A1 Optically Pure Diastereomers of 10-Propargyl-10-Deazaaminopterin and Methods of Using Same ALLOS THERAPEUTICS, INC. 2014-12-11 US claimed
US-8835433-B2 Optically pure diastereomers of 10-Propargyl-10-deazaaminopterin and methods of using same for the treatment of cancer ALLOS THERAPEUTICS, INC. (US) 2014-09-16 US claimed
US-20130197004-A1 Optically Pure Diastereomers of 10-Propargyl-10-Deazaaminopterin and Methods of Using Same for the treatment of cancer ALLOS THERAPEUTICS, INC. (US) 2013-08-01 US claimed
US-20110190305-A1 Optically Pure Diastereomers of 10-Propargyl-10-Deazaaminopterin and Methods of Using Same ALLOS THERAPEUTICS, INC. (US) 2011-08-04 US claimed
US-20240024326-A1 ALPHA POLYGLUTAMATED PRALATREXATE AND USES THEREOF L.E.A.F. HOLDINGS GROUP LLC 2024-01-25 US disclosed
US-20240024326-A1 ALPHA POLYGLUTAMATED PRALATREXATE AND USES THEREOF L.E.A.F. HOLDINGS GROUP LLC 2024-01-25 US disclosed
US-20210346294-A1 GAMMA POLYGLUTAMATED PRALATREXATE AND USES THEREOF L.E.A.F. HOLDINGS GROUP LLC 2021-11-11 US disclosed
EP-2531193-B1 DIASTEREOMERS OF 10-PROPARGYL-10-DEAZAAMINOPTERIN FOR USE IN THE TREATMENT OF LUNG CANCER ALLOS THERAPEUTICS INC (US) 2016-07-20 EP disclosed
EP-2794610-B1 PROCESSES AND INTERMEDIATES FOR PREPARING PRALATREXATE PLUS CHEMICALS SA (CH) 2016-03-09 EP disclosed
US-9187481-B2 (2S)-2-[[4-[(1R)-1-[(2,4-diaminopteridin-6-yl)methyl]but-3-ynyl]benzoyl]amin]pentanedioic acid for the treatment of inflammatory disorders ALLOS THERAPEUTICS, INC. (US) 2015-11-17 US disclosed
US-9187481-B2 (2S)-2-[[4-[(1R)-1-[(2,4-diaminopteridin-6-yl)methyl]but-3-ynyl]benzoyl]amin]pentanedioic acid for the treatment of inflammatory disorders ALLOS THERAPEUTICS, INC. (US) 2015-11-17 US disclosed
US-8263354-B2 Methods for assessing cancer for increased sensitivity to 10-propargyl-10-deazaaminopterin SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2012-09-11 US disclosed
WO-2011096947-A1 OPTICALLY PURE DIASTEREOMERS OF 10-PROPARGYL-10-DEAZAAMINOPTERIN AND METHODS OF USING SAME ALLOS THERAPEUTICS, INC. (US) 2011-08-11 WO disclosed
WO-2011096947-A1 OPTICALLY PURE DIASTEREOMERS OF 10-PROPARGYL-10-DEAZAAMINOPTERIN AND METHODS OF USING SAME ALLOS THERAPEUTICS, INC. (US) 2011-08-11 WO disclosed
US-20110190305-A1 Optically Pure Diastereomers of 10-Propargyl-10-Deazaaminopterin and Methods of Using Same ALLOS THERAPEUTICS, INC. (US) 2011-08-04 US disclosed
US-20110190305-A1 Optically Pure Diastereomers of 10-Propargyl-10-Deazaaminopterin and Methods of Using Same ALLOS THERAPEUTICS, INC. (US) 2011-08-04 US disclosed
US-20110190305-A1 Optically Pure Diastereomers of 10-Propargyl-10-Deazaaminopterin and Methods of Using Same ALLOS THERAPEUTICS, INC. (US) 2011-08-04 US disclosed
US-20110111436-A1 METHODS FOR ASSESSING CANCER FOR INCREASED SENSITIVITY TO 10-PROPARGYL-10-DEAZAAMINOPTERIN SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2011-05-12 US 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 (5 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-20130197004-A1 Optically Pure Diastereomers of 10-Propargyl-10-Deazaaminopterin and Methods of Using Same for the treatment of cancer DHPS, HCCS, SPR DHFR 11/4885FOLR1 123/4885SLC19A1 848/4885
US-20110190305-A1 Optically Pure Diastereomers of 10-Propargyl-10-Deazaaminopterin and Methods of Using Same DHPS, C3AR1, HCCS DHFR 22/4885FOLR1 166/4885SLC19A1 863/4885
US-20140364437-A1 Optically Pure Diastereomers of 10-Propargyl-10-Deazaaminopterin and Methods of Using Same DHPS, C3AR1, HCCS DHFR 22/4885FOLR1 166/4885SLC19A1 863/4885
US-20240024326-A1 ALPHA POLYGLUTAMATED PRALATREXATE AND USES THEREOF IFNG, FPGS, PML DHFR 33/4885FOLR1 14/4885SLC19A1 133/4885
US-20210346294-A1 GAMMA POLYGLUTAMATED PRALATREXATE AND USES THEREOF IFNG, GMFG, IL2 DHFR 30/4885FOLR1 20/4885SLC19A1 268/4885

“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.