SCHEMBL7602181

SCHEMBL7602181

N#Cc1cc([C@H]2CC[C@@H](CO)O2)n2ncnc(N)c12

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 15/20 0.42
▸ ACVRL1 P37023 5/20 0.39

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
SCHEMBL14642544 0.83 ACVRL1 (0.41) PIK3CDACVRL1
SCHEMBL7605058 0.83 ACVRL1 (0.44) PIK3CDACVRL1
SCHEMBL26944060 0.83 ACVRL1 (0.43) PIK3CDACVRL1
SCHEMBL14642815 0.83 PIK3CD (0.39) PIK3CDACVRL1
SCHEMBL10105829 0.80 ACVRL1 (0.39) PIK3CDACVRL1
SCHEMBL10105828 0.80 ACVRL1 (0.39) PIK3CDACVRL1
SCHEMBL7605044 0.80 ACVRL1 (0.39) PIK3CDACVRL1
SCHEMBL7602863 0.77 ACVRL1 (0.43) PIK3CDACVRL1
SCHEMBL14642736 0.76 ACVRL1 (0.45) PIK3CDACVRL1
SCHEMBL15289753 0.76 CYP2A6 (0.37) PIK3CDACVRL1

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-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

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-20120122811-A1 BICYCLIC NUCLEOSIDES AND NUCLEOTIDES AS THERAPEUTIC AGENTS NTPCR, PNP, DCTD PIK3CD 636/4885ACVRL1 4215/4885
US-20130018013-A1 BICYCLIC NUCLEOSIDES AND NUCLEOTIDES AS THERAPEUTIC AGENTS NTPCR, PNP, DCTD PIK3CD 636/4885ACVRL1 4215/4885

“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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