SCHEMBL15055178

SCHEMBL15055178

C#CCC(Cc1cnc2nc(N)nc(N)c2n1)(C(=O)OC)c1ccc(C(=O)OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DHFR P00374 15/20 0.45
FOLR1 P15328 1/20 0.43
SLC19A1 P41440 1/20 0.43
SLC46A1 Q96NT5 1/20 0.43

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
SCHEMBL15054326 0.82 DHFR (0.46) DHFRFOLR1SLC19A1SLC46A1
SCHEMBL9547681 0.80 DHFR (0.45) DHFR
SCHEMBL9547703 0.75 HPGD (0.43) DHFR
SCHEMBL15055063 0.75 DHFR (0.38) DHFRFOLR1SLC19A1SLC46A1
SCHEMBL9542041 0.72 DHFR (0.52) DHFR
SCHEMBL17562254 0.72 DHFR (0.46) DHFRFOLR1SLC19A1SLC46A1
SCHEMBL17554417 0.71 DHFR (0.46) DHFRFOLR1SLC19A1SLC46A1
SCHEMBL17554406 0.71 DHFR (0.46) DHFRFOLR1SLC19A1SLC46A1
SCHEMBL17554357 0.71 DHFR (0.46) DHFRFOLR1SLC19A1SLC46A1
SCHEMBL9541999 0.71 DHFR (0.66) DHFRFOLR1SLC19A1SLC46A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9440979-B2 Process for the preparation of pralatrexate FRESENIUS KABI ONCOLOGY LIMITED (IN) 2016-09-13 US disclosed
US-9440979-B2 Process for the preparation of pralatrexate FRESENIUS KABI ONCOLOGY LIMITED (IN) 2016-09-13 US disclosed
EP-2794610-B1 PROCESSES AND INTERMEDIATES FOR PREPARING PRALATREXATE PLUS CHEMICALS SA (CH) 2016-03-09 EP disclosed
US-20150183789-A1 IMPROVED PROCESS FOR THE PREPARATION OF PRALATREXATE FRESENIUS KABI ONCOLOGY LIMITED (IN) 2015-07-02 US disclosed
US-20150183789-A1 IMPROVED PROCESS FOR THE PREPARATION OF PRALATREXATE FRESENIUS KABI ONCOLOGY LIMITED (IN) 2015-07-02 US disclosed
EP-2794610-A1 PROCESSES AND INTERMEDIATES FOR PREPARING PRALATREXATE Plus Chemicals SA (CH) 2014-10-29 EP disclosed
WO-2013096800-A1 PROCESSES AND INTERMEDIATES FOR PREPARING PRALATREXATE PLUS CHEMICALS S.A. (CH) 2013-06-27 WO disclosed
WO-2013096800-A1 PROCESSES AND INTERMEDIATES FOR PREPARING PRALATREXATE PLUS CHEMICALS S.A. (CH) 2013-06-27 WO 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-20150183789-A1 IMPROVED PROCESS FOR THE PREPARATION OF PRALATREXATE CYP3A5, UGT1A4, UGT1A3 DHFR 24/4885FOLR1 182/4885SLC19A1 161/4885

“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.