SCHEMBL13614537

SCHEMBL13614537

O=c1nc(NCc2ccccc2)ccn1[C@H]1C[C@@H](OCc2ccccc2)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OCc2ccc3ccccc3c2)O1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 16/20 0.50
P2RY2 P41231 14/20 0.50
P2RY4 P51582 12/20 0.50
NT5E P21589 1/20 0.45

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
SCHEMBL13614531 0.83 POLB (0.64) P2RY6P2RY2P2RY4NT5E
SCHEMBL13629375 0.83 POLB (0.64) P2RY6P2RY2P2RY4NT5E
SCHEMBL20974965 0.82 P2RY2 (0.54) P2RY6P2RY2P2RY4
SCHEMBL14017366 0.76 POLB (0.60) P2RY6P2RY2P2RY4NT5E
SCHEMBL13614535 0.76 POLB (0.60) P2RY6P2RY2P2RY4NT5E
SCHEMBL14400530 0.74 P2RY6 (0.56) P2RY6P2RY2P2RY4NT5E
SCHEMBL14017357 0.74 P2RY6 (0.56) P2RY6P2RY2P2RY4NT5E
SCHEMBL14017352 0.73 P2RY6 (0.66) P2RY6P2RY2P2RY4NT5E
SCHEMBL13614525 0.73 P2RY6 (0.66) P2RY6P2RY2P2RY4NT5E
Magnesium SCHEMBL30107092 0.73 POLB (0.54) P2RY6P2RY2P2RY4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612047-B2 Degradation-resistant mononucleoside phosphate compounds INSPIRE PHARMACEUTICALS, INC. (US) 2009-11-03 US disclosed
US-7612047-B2 Degradation-resistant mononucleoside phosphate compounds INSPIRE PHARMACEUTICALS, INC. (US) 2009-11-03 US disclosed
US-20090076256-A1 DEGRADATION-RESISTANT MONONUCLEOSIDE PHOSPHATE COMPOUNDS DOUGLASS III JAMES G 2009-03-19 US disclosed
US-20090076256-A1 DEGRADATION-RESISTANT MONONUCLEOSIDE PHOSPHATE COMPOUNDS DOUGLASS III JAMES G 2009-03-19 US disclosed
US-7435724-B2 Degradation-resistant mononucleoside phosphate compounds INSPIRE PHARMACEUTICAL, INC. (US) 2008-10-14 US disclosed
US-7435724-B2 Degradation-resistant mononucleoside phosphate compounds INSPIRE PHARMACEUTICAL, INC. (US) 2008-10-14 US disclosed
US-20070244068-A1 Degradation-resistant mononucleoside phosphate compounds INSPIRE PHARMACEUTICALS, INC. 2007-10-18 US disclosed
US-20070244068-A1 Degradation-resistant mononucleoside phosphate compounds INSPIRE PHARMACEUTICALS, INC. 2007-10-18 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-20070244068-A1 Degradation-resistant mononucleoside phosphate compounds PNKP, ENTPD5, ENPP1 P2RY6 39/4885P2RY2 75/4885P2RY4 74/4885
US-20090076256-A1 DEGRADATION-RESISTANT MONONUCLEOSIDE PHOSPHATE COMPOUNDS PNKP, ENTPD5, ENPP1 P2RY6 39/4885P2RY2 75/4885P2RY4 74/4885

“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.