SCHEMBL15725567

SCHEMBL15725567

C[C@]1(O)C(n2c(I)nc3c(=O)[nH]c(N)nc32)O[C@H](CO)[C@H]1O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PNP P00491 3/20 0.53
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
ADORA2A P29274 2/20 0.45
ADA P00813 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
TLR7 Q9NYK1 3/20 0.37

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
SCHEMBL12477821 1.00 PNP (0.53) PNPCYP3A4MAPTADORA2AADA
SCHEMBL12477825 1.00 PNP (0.53) PNPCYP3A4MAPTADORA2AADA
SCHEMBL15725657 0.88 ADORA2A (0.41) PNPCYP3A4MAPTADORA2AADA
SCHEMBL15725655 0.88 PNP (0.53) PNPCYP3A4MAPTADORA2AADA
SCHEMBL10535912 0.88 PNP (0.53) PNPCYP3A4MAPTADORA2AADA
SCHEMBL12477755 0.86 NT5E (0.42) PNPCYP3A4MAPTALDH1A1
SCHEMBL15728301 0.86 P2RY2 (0.45) PNPALDH1A1
SCHEMBL12477759 0.86 P2RY2 (0.45) PNPALDH1A1
Phosphoric Acid SCHEMBL12477719 0.82 PNP (0.40) PNPCYP3A4MAPTALDH1A1
SCHEMBL15728300 0.82 P2RY2 (0.56) PNP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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 PNP 1/4885CYP3A4 1684/4885MAPT 3498/4885

“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.