Purine

Purine

SCHEMBL9103866

C1CCOC1.C1CCOC1.O=P(O)(O)O.c1ncc2nc[nH]c2n1

nearest known ligand 0.30

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Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Purine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
FDPS P14324 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
Purine SCHEMBL9104228 1.00 FDPS (0.30) FDPS
Purine SCHEMBL1705517 0.91 KDM4A (0.31)
Purine SCHEMBL595228 0.88 KDM4A (0.36) FDPS
Purine SCHEMBL5989426 0.88 KDM4A (0.36) FDPS
Purine SCHEMBL2676957 0.83 KDM4A (0.35) FDPS
Purine SCHEMBL28270 0.82 KDM4A (0.34) FDPS
Purine SCHEMBL9471861 0.79 KDM4A (0.35)
Purine SCHEMBL6811207 0.79 KDM4A (0.31)
Purine SCHEMBL3157 0.78
Purine SCHEMBL2120547 0.78 KDM4A (0.38)

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
WO-2012078416-A2 MONOPHOSPHATE PRODRUGS OF DAPD AND ANALOGS THEREOF RFS PHARMA, LLC (US) 2012-06-14 WO disclosed
US-20120142627-A1 MONOPHOSPHATE PRODRUGS OF DAPD AND ANALOGS THEREOF EMORY UNIVERSITY (US) 2012-06-07 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-20120142627-A1 MONOPHOSPHATE PRODRUGS OF DAPD AND ANALOGS THEREOF DCTD, ENTPD5, PNP FDPS 99/4885

“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.