SCHEMBL18552693

SCHEMBL18552693

BNC(=O)c1ccc(CCCCc2cc3c(=O)[nH]c(N)nc3[nH]2)cc1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GART P22102 13/20 0.67
▸ FOLR1 P15328 9/20 0.67
▸ FOLR2 P14207 8/20 0.67
▸ SLC46A1 Q96NT5 7/20 0.67
▸ SLC19A1 P41440 3/20 0.65
▸ DHFR P00374 4/20 0.57

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
SCHEMBL18551757 0.85 GART (0.65) GARTFOLR1FOLR2SLC46A1SLC19A1
SCHEMBL18552561 0.85 FOLR1 (0.70) GARTFOLR1FOLR2SLC46A1SLC19A1
SCHEMBL18552563 0.82 GART (0.70) GARTFOLR1FOLR2SLC46A1SLC19A1
SCHEMBL18158248 0.81 GART (1.00) GARTFOLR1FOLR2SLC46A1SLC19A1
SCHEMBL18551646 0.80 GART (0.83) GARTFOLR1FOLR2SLC46A1SLC19A1
SCHEMBL18552512 0.80 GART (0.70) GARTFOLR1FOLR2SLC46A1SLC19A1
SCHEMBL18540804 0.79 GART (1.00) GARTFOLR1FOLR2SLC46A1SLC19A1
SCHEMBL18551644 0.79 GART (1.00) GARTFOLR1FOLR2SLC46A1SLC19A1
SCHEMBL18552514 0.76 GART (0.70) GARTFOLR1FOLR2SLC46A1SLC19A1
SCHEMBL28718440 0.76 DHFR (0.74) GARTFOLR1FOLR2SLC46A1SLC19A1

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 4 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-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 54/4885FOLR2 83/4885
US-10457688-B2 Monocyclic thieno, pyrido, and pyrrolo pyrimidine compounds and methods of use and manufacture of same DPYD, TPX2, TYMS GART 56/4885FOLR1 147/4885FOLR2 142/4885
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 60/4885FOLR2 89/4885

“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.

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