SCHEMBL12477759

SCHEMBL12477759

C[C@@]1(O)[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1n1c(I)nc2c(=O)[nH]c(N)nc21

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 1/20 0.45
P2RY4 P51582 1/20 0.45
NT5E P21589 1/20 0.43
POLB P06746 1/20 0.42
TAS1R3 Q7RTX0 2/20 0.42
TAS1R1 Q7RTX1 2/20 0.42
PNP P00491 2/20 0.41
IMPDH2 P12268 5/20 0.40
IMPDH1 P20839 1/20 0.40
TGM2 P21980 1/20 0.40
EIF4E P06730 2/20 0.39
ALDH1A1 P00352 1/20 0.39
FUT5 Q11128 1/20 0.38

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
SCHEMBL15728301 1.00 P2RY2 (0.45) P2RY2P2RY4NT5EPOLBTAS1R3
SCHEMBL12477755 0.94 NT5E (0.42) P2RY2P2RY4NT5EPOLBTAS1R3
SCHEMBL15728300 0.92 P2RY2 (0.56) P2RY2P2RY4NT5EPOLBPNP
SCHEMBL12477717 0.92 P2RY2 (0.56) P2RY2P2RY4NT5EPOLBPNP
SCHEMBL15725567 0.86 PNP (0.53) PNPALDH1A1
SCHEMBL12477821 0.86 PNP (0.53) PNPALDH1A1
SCHEMBL12477825 0.86 PNP (0.53) PNPALDH1A1
SCHEMBL1577230 0.84 NT5E (0.57) P2RY2P2RY4NT5EPOLBTAS1R3
SCHEMBL12939473 0.84 NT5E (0.57) P2RY2P2RY4NT5EPOLBTAS1R3
SCHEMBL15468735 0.84 NT5E (0.57) P2RY2P2RY4NT5EPOLBTAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9351989-B2 Substituted purine nucleosides, phosphoroamidate and phosphorodiamidate derivatives for treatment of viral infections INHIBITEX, INC. (US) 2016-05-31 US claimed
US-20140140955-A1 SUBSTITUTED PURINE NUCLEOSIDES, PHOSPHOROAMIDATE AND PHOSPHORODIAMIDATE DERIVATIVES FOR TREATMENT OF VIRAL INFECTIONS UNIVERSITY COLLEGE OF CARDIFF CONSULTANTS LIMITED (GB) 2014-05-22 US claimed
EP-2658857-B1 SUBSTITUTED PURINE NUCLEOSIDES, PHOSPHOROAMIDATE AND PHOSPHORODIAMIDATE DERIVATIVES FOR TREATMENT OF VIRAL INFECTIONS INHIBITEX INC (US) 2016-11-02 EP disclosed
EP-2658857-B1 SUBSTITUTED PURINE NUCLEOSIDES, PHOSPHOROAMIDATE AND PHOSPHORODIAMIDATE DERIVATIVES FOR TREATMENT OF VIRAL INFECTIONS INHIBITEX INC (US) 2016-11-02 EP disclosed
US-9351989-B2 Substituted purine nucleosides, phosphoroamidate and phosphorodiamidate derivatives for treatment of viral infections INHIBITEX, INC. (US) 2016-05-31 US disclosed
US-9351989-B2 Substituted purine nucleosides, phosphoroamidate and phosphorodiamidate derivatives for treatment of viral infections INHIBITEX, INC. (US) 2016-05-31 US disclosed
US-9351989-B2 Substituted purine nucleosides, phosphoroamidate and phosphorodiamidate derivatives for treatment of viral infections INHIBITEX, INC. (US) 2016-05-31 US disclosed
US-20140140955-A1 SUBSTITUTED PURINE NUCLEOSIDES, PHOSPHOROAMIDATE AND PHOSPHORODIAMIDATE DERIVATIVES FOR TREATMENT OF VIRAL INFECTIONS UNIVERSITY COLLEGE OF CARDIFF CONSULTANTS LIMITED (GB) 2014-05-22 US disclosed
US-20140140955-A1 SUBSTITUTED PURINE NUCLEOSIDES, PHOSPHOROAMIDATE AND PHOSPHORODIAMIDATE DERIVATIVES FOR TREATMENT OF VIRAL INFECTIONS UNIVERSITY COLLEGE OF CARDIFF CONSULTANTS LIMITED (GB) 2014-05-22 US disclosed
US-20140140955-A1 SUBSTITUTED PURINE NUCLEOSIDES, PHOSPHOROAMIDATE AND PHOSPHORODIAMIDATE DERIVATIVES FOR TREATMENT OF VIRAL INFECTIONS UNIVERSITY COLLEGE OF CARDIFF CONSULTANTS LIMITED (GB) 2014-05-22 US disclosed
EP-2658857-A2 SUBSTITUTED PURINE NUCLEOSIDES, PHOSPHOROAMIDATE AND PHOSPHORODIAMIDATE DERIVATIVES FOR TREATMENT OF VIRAL INFECTIONS Inhibitex, Inc. (US) 2013-11-06 EP disclosed
WO-2012092484-A2 SUBSTITUTED PURINE NUCLEOSIDES, PHOSPHOROAMIDATE AND PHOSPHORODIAMIDATE DERIVATIVES FOR TREATMENT OF VIRAL INFECTIONS INHIBITEX, INC. (US) 2012-07-05 WO 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-20140140955-A1 SUBSTITUTED PURINE NUCLEOSIDES, PHOSPHOROAMIDATE AND PHOSPHORODIAMIDATE DERIVATIVES FOR TREATMENT OF VIRAL INFECTIONS PNP, UMPS, UPP1 P2RY2 39/4885P2RY4 22/4885NT5E 141/4885

“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.