SCHEMBL802664

SCHEMBL802664

CC(=O)Nc1nc2c(ncn2[C@@H]2O[C@]34CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@@H]3C2ON(C)C4)c(=O)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 1/20 0.42
▸ TAS1R1 Q7RTX1 1/20 0.42
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ POLA1 P09884 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ STING1 Q86WV6 4/20 0.31
▸ TAAR1 Q96RJ0 1/20 0.30

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
SCHEMBL802971 0.87 STING1 (0.39) STING1
SCHEMBL802588 0.84 ADORA3 (0.35) —
SCHEMBL803169 0.79 NT5E (0.33) —
SCHEMBL802572 0.78 — —
SCHEMBL15478067 0.78 ACHE (0.32) —
SCHEMBL802538 0.78 ACHE (0.32) —
SCHEMBL15478065 0.76 PI4KA (0.39) STING1
SCHEMBL802593 0.76 PI4KA (0.39) STING1
SCHEMBL802564 0.76 PRMT6 (0.38) —
SCHEMBL802680 0.74 TAS1R3 (0.52) TAS1R3TAS1R1MEN1KMT2ATSHR

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-8653254-B2 Process for producing nucleoside TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-02-18 — — US disclosed
US-20120071646-A1 PROCESS FOR PRODUCING NUCLEOSIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-22 — — 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-20120071646-A1 PROCESS FOR PRODUCING NUCLEOSIDE NUDT1, PNP, HPRT1 TAS1R3 3396/4885TAS1R1 2530/4885MEN1 1652/4885

“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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