SCHEMBL7602186

SCHEMBL7602186

C[C@H]1C[C@@H](CO)O[C@H]1c1cc(C(N)=S)c2c(N)ncnn12

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACVRL1 P37023 12/20 0.36
▸ CSNK2A2 P19784 3/20 0.32
▸ CSNK2A1 P68400 3/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ GALR3 O60755 1/20 0.32
▸ S1PR4 O95977 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ S1PR1 P21453 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ PAX8 Q06710 1/20 0.32
▸ PIK3CD O00329 2/20 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
SCHEMBL14642529 0.90 PIK3CD (0.37) ACVRL1CSNK2A2CSNK2A1PIK3CD
SCHEMBL14642542 0.88 CSNK2A2 (0.36) ACVRL1CSNK2A2CSNK2A1PIK3CD
SCHEMBL13532224 0.85 CSNK2A2 (0.38) ACVRL1CSNK2A2CSNK2A1PIK3CD
SCHEMBL14642597 0.84 PIK3CD (0.38) ACVRL1PIK3CD
SCHEMBL14642543 0.84 ACVRL1 (0.37) ACVRL1PIK3CD
SCHEMBL7605044 0.80 ACVRL1 (0.39) ACVRL1CSNK2A2CSNK2A1NPC1GALR3
SCHEMBL10101583 0.80 NPC1 (0.40) ACVRL1CSNK2A2CSNK2A1NPC1GALR3
SCHEMBL10101589 0.79 NPC1 (0.36) ACVRL1CSNK2A2CSNK2A1NPC1GALR3
SCHEMBL10101519 0.79 NPC1 (0.36) ACVRL1CSNK2A2CSNK2A1NPC1GALR3
SCHEMBL14642635 0.79 PIK3CD (0.42) ACVRL1PIK3CD

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-20130018013-A1 BICYCLIC NUCLEOSIDES AND NUCLEOTIDES AS THERAPEUTIC AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-01-17 — — US disclosed
US-20120122811-A1 BICYCLIC NUCLEOSIDES AND NUCLEOTIDES AS THERAPEUTIC AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2012-05-17 — — US disclosed
US-8119607-B2 Bicyclic nucleosides and nucleotides as therapeutic agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2012-02-21 — — US disclosed
US-20100035836-A1 BICYCLIC NUCLEOSIDES AND NUCLEOTIDES AS THERAPEUTIC AGENTS BIOTA SCIENTIFIC MANAGEMENT (AU) 2010-02-11 — — 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-20120122811-A1 BICYCLIC NUCLEOSIDES AND NUCLEOTIDES AS THERAPEUTIC AGENTS NTPCR, PNP, DCTD ACVRL1 4215/4885CSNK2A2 4716/4885CSNK2A1 4695/4885
US-20100035836-A1 BICYCLIC NUCLEOSIDES AND NUCLEOTIDES AS THERAPEUTIC AGENTS NTPCR, PNP, DCTD ACVRL1 4215/4885CSNK2A2 4716/4885CSNK2A1 4695/4885
US-20130018013-A1 BICYCLIC NUCLEOSIDES AND NUCLEOTIDES AS THERAPEUTIC AGENTS NTPCR, PNP, DCTD ACVRL1 4215/4885CSNK2A2 4716/4885CSNK2A1 4695/4885

“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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