SCHEMBL19891046

SCHEMBL19891046

O=C1NC(O)N(C2CC2)c2nc(Cc3nc4ccc(O)cc4[nH]3)n(Cc3ccccc3)c21

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TPH1 P17752 17/20 0.61
▸ TPH2 Q8IWU9 17/20 0.61
▸ GAA P10253 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ GRIN1 Q05586 2/20 0.46
▸ GRIN2B Q13224 2/20 0.46

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
SCHEMBL19891088 0.89 TPH2 (0.61) TPH1TPH2GRIN1GRIN2B
SCHEMBL19891057 0.87 TPH2 (0.64) TPH1TPH2
SCHEMBL19891024 0.82 TPH2 (0.56) TPH1TPH2
SCHEMBL19891014 0.77 TPH1 (0.56) TPH1TPH2GAA
SCHEMBL18036500 0.76 TPH2 (1.00) TPH1TPH2
SCHEMBL19891015 0.71 TPH1 (0.57) TPH1TPH2
SCHEMBL19874755 0.68 TPH2 (1.00) TPH1TPH2
SCHEMBL18036493 0.66 TPH2 (0.84) TPH1TPH2
SCHEMBL18036509 0.66 TPH2 (1.00) TPH1TPH2
SCHEMBL18036511 0.66 TPH2 (1.00) TPH1TPH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180051025-A1 XANTHINE DERIVATIVES, THEIR USE AS A MEDICAMENT, AND PHARMACEUTICAL PREPARATIONS COMPRISING THE SAME Max-Delbrück-Centrum für Molekulare Medizin (DE) 2018-02-22 — — 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 (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-20180051025-A1 XANTHINE DERIVATIVES, THEIR USE AS A MEDICAMENT, AND PHARMACEUTICAL PREPARATIONS COMPRISING THE SAME TPH1, XDH, TPH2 TPH1 1/4885TPH2 3/4885GAA 1254/4885

“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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