SCHEMBL21027750

SCHEMBL21027750

CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3c(n1)CCCC3)n2Cc1ccc(-c2ccc(C(F)(F)F)cn2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TPH1 P17752 20/20 1.00
▸ TPH2 Q8IWU9 20/20 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
SCHEMBL19810122 0.85 TPH1 (1.00) TPH1TPH2
SCHEMBL19810137 0.84 TPH1 (1.00) TPH1TPH2
SCHEMBL19827110 0.84 TPH1 (1.00) TPH1TPH2
SCHEMBL19810117 0.83 TPH2 (1.00) TPH1TPH2
SCHEMBL19827157 0.80 TPH1 (1.00) TPH1TPH2
SCHEMBL19817378 0.80 TPH1 (1.00) TPH1TPH2
SCHEMBL19817335 0.80 TPH1 (1.00) TPH1TPH2
SCHEMBL19827112 0.79 TPH1 (1.00) TPH1TPH2
SCHEMBL19827159 0.79 TPH1 (0.74) TPH1TPH2
SCHEMBL19827089 0.78 TPH1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10683309-B2 Xanthine derivatives, their use as a medicament, and pharmaceutical preparations comprising the same Max-Delbrück-Centrum für Molekulare Medizin (DE) 2020-06-16 — — US disclosed
US-20190161503-A1 XANTHINE DERIVATIVES, THEIR USE AS A MEDICAMENT, AND PHARMACEUTICAL PREPARATIONS COMPRISING THE SAME Max-Delbrück-Centrum für Molekulare Medizin (DE) 2019-05-30 — — 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 (2 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-10683309-B2 Xanthine derivatives, their use as a medicament, and pharmaceutical preparations comprising the same TPH1, XDH, TPH2 TPH1 1/4885TPH2 3/4885
US-20190161503-A1 XANTHINE DERIVATIVES, THEIR USE AS A MEDICAMENT, AND PHARMACEUTICAL PREPARATIONS COMPRISING THE SAME TPH1, XDH, TPH2 TPH1 1/4885TPH2 3/4885

“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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