SCHEMBL18540804

SCHEMBL18540804

Nc1nc2[nH]c(CCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GART P22102 17/20 1.00
FOLR1 P15328 14/20 1.00
SLC46A1 Q96NT5 14/20 1.00
FOLR2 P14207 13/20 1.00
SLC19A1 P41440 7/20 1.00

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
SCHEMBL18551644 1.00 GART (1.00) GARTFOLR1SLC46A1FOLR2SLC19A1
SCHEMBL18158248 0.98 GART (1.00) GARTFOLR1SLC46A1FOLR2SLC19A1
SCHEMBL10068239 0.95 GART (0.90) GARTFOLR1SLC46A1FOLR2SLC19A1
SCHEMBL18551646 0.91 GART (0.83) GARTFOLR1SLC46A1FOLR2SLC19A1
SCHEMBL18540792 0.91 GART (0.82) GARTFOLR1SLC46A1FOLR2SLC19A1
SCHEMBL18160916 0.89 GART (0.80) GARTFOLR1SLC46A1FOLR2SLC19A1
SCHEMBL18160918 0.89 GART (1.00) GARTFOLR1SLC46A1FOLR2SLC19A1
SCHEMBL28720517 0.88 GART (0.79) GARTFOLR1SLC46A1FOLR2SLC19A1
SCHEMBL28720520 0.88 GART (0.79) GARTFOLR1SLC46A1FOLR2SLC19A1
SCHEMBL18160919 0.88 GART (1.00) GARTFOLR1SLC46A1FOLR2SLC19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11078214-B2 Monocyclic thieno, pyrido, and pyrrolo pyrimidine compounds and methods of use and manufacture of same DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2021-08-03 US disclosed
US-10457688-B2 Monocyclic thieno, pyrido, and pyrrolo pyrimidine compounds and methods of use and manufacture of same DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2019-10-29 US disclosed
US-9994586-B2 Monocyclic, thieno, pyrido, and pyrrolo pyrimidine compounds and methods of use and manufacture of the same DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2018-06-12 US disclosed
US-9994586-B2 Monocyclic, thieno, pyrido, and pyrrolo pyrimidine compounds and methods of use and manufacture of the same DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2018-06-12 US disclosed
US-20170050978-A1 Monocyclic, Thieno, Pyrido, and Pyrrolo Pyrimidine Compounds and Methods of Use and Manufacture of the Same DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2017-02-23 US disclosed
US-20170050978-A1 Monocyclic, Thieno, Pyrido, and Pyrrolo Pyrimidine Compounds and Methods of Use and Manufacture of the Same DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2017-02-23 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 (3 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-11078214-B2 Monocyclic thieno, pyrido, and pyrrolo pyrimidine compounds and methods of use and manufacture of same DPYD, TYMS, THPO GART 53/4885FOLR1 54/4885SLC46A1 69/4885
US-10457688-B2 Monocyclic thieno, pyrido, and pyrrolo pyrimidine compounds and methods of use and manufacture of same DPYD, TPX2, TYMS GART 56/4885FOLR1 147/4885SLC46A1 57/4885
US-20170050978-A1 Monocyclic, Thieno, Pyrido, and Pyrrolo Pyrimidine Compounds and Methods of Use and Manufacture of the Same CYP4F3, TYMS, DPYD GART 11/4885FOLR1 60/4885SLC46A1 175/4885

“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.