SCHEMBL12729574

SCHEMBL12729574

CC(CSSc1ccccn1)OC(=O)Nc1ncnc2c1ncn2C1CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 6/20 0.50
▸ P2RY2 P41231 2/20 0.50
▸ P2RY1 P47900 2/20 0.50
▸ P2RY6 Q15077 1/20 0.50
▸ P2RX3 P56373 3/20 0.47
▸ P2RX2 Q9UBL9 3/20 0.47
▸ P2RX4 Q99571 1/20 0.47
▸ POLB P06746 1/20 0.45
▸ GPR17 Q13304 1/20 0.43
▸ NT5E P21589 1/20 0.43
▸ DTYMK P23919 2/20 0.41
▸ ENPP1 P22413 1/20 0.41

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
SCHEMBL12729570 0.88 SLC29A1 (0.47) —
SCHEMBL17834988 0.88 SLC29A1 (0.47) —
SCHEMBL12369368 0.88 P2RY12 (0.52) P2RY12P2RY2P2RY1P2RY6P2RX3
SCHEMBL17833859 0.87 POLB (0.47) P2RY12P2RY2P2RY1P2RY6POLB
SCHEMBL14183915 0.87 P2RY12 (0.53) P2RY12P2RY2P2RY1P2RY6P2RX3
SCHEMBL12369382 0.86 P2RY12 (0.52) P2RY12P2RY2P2RY1P2RY6P2RX3
SCHEMBL12729488 0.85 POLB (0.54) P2RY12P2RY2P2RY1P2RY6P2RX3
SCHEMBL17833857 0.82 P2RY6 (0.43) P2RY12P2RY2P2RY1P2RY6P2RX3
SCHEMBL21545816 0.80 P2RY12 (0.64) P2RY12P2RY2P2RY1P2RY6P2RX3
SCHEMBL30205292 0.80 P2RY12 (0.64) P2RY12P2RY2P2RY1P2RY6P2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160168636-A1 NUCLEOTIDE ANALOGS HELICOS BIOSCIENCES CORPORATION 2016-06-16 — — US disclosed
US-20160168636-A1 NUCLEOTIDE ANALOGS HELICOS BIOSCIENCES CORPORATION 2016-06-16 — — US disclosed
US-9163053-B2 Nucleotide analogs FLUIDIGM CORPORATION (US) 2015-10-20 — — US disclosed
US-9163053-B2 Nucleotide analogs FLUIDIGM CORPORATION (US) 2015-10-20 — — US disclosed
US-20110081647-A1 NUCLEOTIDE ANALOGS HELICOS BIOSCIENCES CORPORATION (US) 2011-04-07 — — US disclosed
US-20110081647-A1 NUCLEOTIDE ANALOGS HELICOS BIOSCIENCES CORPORATION (US) 2011-04-07 — — 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-20110081647-A1 NUCLEOTIDE ANALOGS DUT, NT5C2, NUDT21 P2RY12 128/4885P2RY2 249/4885P2RY1 157/4885

“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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