SCHEMBL573199

SCHEMBL573199

Nc1cc2c(O)n(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc-2n1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHFR P00374 6/20 0.52
ATIC P31939 4/20 0.51
SHMT1 P34896 3/20 0.51
SHMT2 P34897 3/20 0.51
GART P22102 10/20 0.51
FOLR2 P14207 2/20 0.47
FOLR1 P15328 2/20 0.47
SLC46A1 Q96NT5 2/20 0.47
SLC19A1 P41440 1/20 0.47
TYMS P04818 1/20 0.47

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
SCHEMBL9044214 0.94 DHFR (0.46) DHFRATICSHMT1SHMT2GART
SCHEMBL9045940 0.89 ATIC (0.47) DHFRATICSHMT1SHMT2GART
SCHEMBL9046824 0.88 ATIC (0.55) DHFRATICSHMT1SHMT2GART
SCHEMBL9342476 0.88 ATIC (0.48) DHFRATICSHMT1SHMT2GART
SCHEMBL9045385 0.87 FOLR2 (0.51) DHFRATICSHMT1SHMT2GART
SCHEMBL9043298 0.87 FOLR1 (0.48) DHFRATICSHMT1SHMT2GART
SCHEMBL9044667 0.86 ATIC (0.49) DHFRATICSHMT1SHMT2GART
SCHEMBL9044516 0.85 ATIC (0.52) ATICSHMT1SHMT2GARTFOLR2
SCHEMBL9044131 0.85 GART (0.50) DHFRATICSHMT1SHMT2GART
SCHEMBL9049515 0.84 CA2 (0.44) DHFRATICSHMT1SHMT2GART

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140066463-A1 SOLID FORMS OF PEMETREXED DR. REDDY'S LABORATORIES, INC. (US) 2014-03-06 US claimed
US-20100063072-A1 SOLID FORMS OF PEMETREXED DR. REDDY'S LABORATORIES LTD. (IN) 2010-03-11 US claimed
EP-2129674-A2 SOLID FORMS OF PEMETREXED Dr. Reddy's Laboratories Ltd. (IN) 2009-12-09 EP claimed
WO-2008124485-A2 SOLID FORMS OF PEMETREXED DR. REDDY'S LABORATORIES LTD. (IN) 2008-10-16 WO claimed
EP-0432677-B1 N-(pyrrolo[2,3-d]pyrimidin-3-ylacyl)-glutamic acid derivatives UNIV PRINCETON (US) 1996-03-06 EP claimed
US-5344932-A N-(pyrrolo(2,3-d)pyrimidin-3-ylacyl)-glutamic acid derivatives TRUSTEES OF PRINCETON UNIVERSITY (US) 1994-09-06 US claimed
EP-0432677-A1 N-(pyrrolo[2,3-d]pyrimidin-3-ylacyl)-glutamic acid derivatives THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1991-06-19 EP claimed
EP-3021849-B1 NOVEL CRYSTALLINE FORMS OF PEMETREXED TROMETHAMINE SALTS Dr Reddys Laboratories Ltd (IN) 2019-10-09 EP disclosed
EP-2293795-B1 Pharmaceutical combination BOEHRINGER INGELHEIM INT (DE) 2015-08-12 EP disclosed
US-20140066463-A1 SOLID FORMS OF PEMETREXED DR. REDDY'S LABORATORIES, INC. (US) 2014-03-06 US disclosed
US-8507508-B2 Solid forms of pemetrexed DR. REDDY'S LABORATORIES LIMITED (IN) 2013-08-13 US disclosed
WO-2012017443-A1 PROCESS FOR PREPARATION OF HIGHLY PURE DIALKYL PEMETREXED NEON LABORATORIES LTD. (IN) 2012-02-09 WO disclosed
EP-2129674-A2 SOLID FORMS OF PEMETREXED Dr. Reddy's Laboratories Ltd. (IN) 2009-12-09 EP disclosed
EP-0432677-B1 N-(pyrrolo[2,3-d]pyrimidin-3-ylacyl)-glutamic acid derivatives UNIV PRINCETON (US) 1996-03-06 EP disclosed
CN-1030608-C N-(pyrrolo {2,3-d} pyrimidin-3-ylacyl)-glutamic acid derivatives UNIV PRINCETON (US) 1996-01-03 CN disclosed
US-5344932-A N-(pyrrolo(2,3-d)pyrimidin-3-ylacyl)-glutamic acid derivatives TRUSTEES OF PRINCETON UNIVERSITY (US) 1994-09-06 US disclosed
US-5344932-A N-(pyrrolo(2,3-d)pyrimidin-3-ylacyl)-glutamic acid derivatives TRUSTEES OF PRINCETON UNIVERSITY (US) 1994-09-06 US disclosed
US-5248775-A Pyrrolo(2,3-d)pyrimidines THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1993-09-28 US disclosed
EP-0432677-A1 N-(pyrrolo[2,3-d]pyrimidin-3-ylacyl)-glutamic acid derivatives THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1991-06-19 EP disclosed
EP-0432677-A1 N-(pyrrolo[2,3-d]pyrimidin-3-ylacyl)-glutamic acid derivatives THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1991-06-19 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 (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-20140066463-A1 SOLID FORMS OF PEMETREXED TYMP, TYMS, HPRT1 DHFR 10/4885ATIC 315/4885SHMT1 129/4885

“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.