SCHEMBL16644443

SCHEMBL16644443

C[C@]1(O)[C@H](n2cnc3c(=O)[nH]c(N)nc32)O[C@](F)(CO)[C@H]1F

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.48
▸ TK1 P04183 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ STING1 Q86WV6 1/20 0.41
▸ HINT1 P49773 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ PNP P00491 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ EDNRA P25101 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ HBB P68871 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ HPRT1 P00492 1/20 0.40

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
SCHEMBL15833022 0.91 ADORA3 (0.52) ADORA3TK1HPGDSTING1HINT1
SCHEMBL15833215 0.91 ADORA3 (0.52) ADORA3TK1HPGDSTING1HINT1
SCHEMBL16640174 0.89 ADORA3 (0.37) ADORA3TK1HPGD
SCHEMBL18672108 0.87 ADORA3 (0.46) ADORA3TK1HPGDSTING1HINT1
SCHEMBL16639985 0.86 ADORA3 (0.40) ADORA3HPGDSTING1HINT1USP2
SCHEMBL16374041 0.86 ADORA3 (0.46) ADORA3TK1HPGDSTING1USP2
SCHEMBL16644431 0.86 ADORA3 (0.46) ADORA3TK1HPGDSTING1USP2
SCHEMBL16368147 0.86 ADORA3 (0.46) ADORA3TK1HPGDSTING1USP2
SCHEMBL18877390 0.85 ADORA3 (0.52) ADORA3TK1HPGDSTING1HINT1
SCHEMBL15833217 0.85 ADORA3 (0.52) ADORA3TK1HPGDSTING1HINT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10307439-B2 Substituted nucleosides, nucleotides and analogs thereof ALIOS BIOPHARMA, INC. (US) 2019-06-04 — — US disclosed
US-9815864-B2 Substituted nucleosides, nucleotides and analogs thereof ALIOS BIOPHARMA, INC. (US) 2017-11-14 — — US disclosed
US-20150105341-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2015-04-16 — — 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-10307439-B2 Substituted nucleosides, nucleotides and analogs thereof PNP, NT5C3B, TYMP ADORA3 83/4885TK1 52/4885HPGD 488/4885
US-20150105341-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, NUDT1 ADORA3 73/4885TK1 93/4885HPGD 1530/4885

“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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