SCHEMBL3845989

SCHEMBL3845989

O=c1[nH]c(NC2(CO)CCC2)nc2nc(C3(CO)CCC3)[nH]c12

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ PNP P00491 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
SCHEMBL8667323 0.79 PNP (0.53) PNP
SCHEMBL8340809 0.62 JAK2 (0.34) JAK2JAK1PNP
SCHEMBL8326030 0.59 ADORA1 (0.39) PNP
SCHEMBL3845982 0.58 — —
SCHEMBL8836044 0.55 METAP2 (0.40) —
SCHEMBL14321806 0.54 PNP (0.44) PNP
SCHEMBL912733 0.52 PNP (0.70) PNP
SCHEMBL2254722 0.51 POLB (0.48) JAK2
SCHEMBL65614 0.51 GDA (0.40) PNP
SCHEMBL10910465 0.50 PNP (0.37) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8592397-B2 Compositions and methods for combination antiviral therapy GILEAD SCIENCES, INC. (US) 2013-11-26 — — US disclosed
EP-1828145-A4 2' AND 3' - SUBSTITUTED CYCLOBUTYL NUCLEOSIDE ANALOGS FOR THE TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION UNIV EMORY (US) 2009-08-19 — — EP disclosed
US-20090143314-A1 COMPOSITIONS AND METHODS FOR COMBINATION ANTIVIRAL THERAPY GILEAD SCIENCES, INC. (US) 2009-06-04 — — US disclosed
EP-1828145-A2 2' AND 3' - SUBSTITUTED CYCLOBUTYL NUCLEOSIDE ANALOGS FOR THE TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION EMORY UNIVERSITY (US) 2007-09-05 — — EP disclosed
US-20060246130-A1 Compositions and methods for combination antiviral therapy GILEAD SCIENCES, INC. 2006-11-02 — — US disclosed
WO-2006063281-A2 2' AND 3' - SUBSTITUTED CYCLOBUTYL NUCLEOSIDE ANALOGS FOR THE TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION EMORY UNIVERSITY (US) 2006-06-15 — — 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 (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-20090143314-A1 COMPOSITIONS AND METHODS FOR COMBINATION ANTIVIRAL THERAPY DCTD, TYMP, TYMS JAK2 4629/4885JAK1 3101/4885PNP 11/4885
US-20060246130-A1 Compositions and methods for combination antiviral therapy DCTD, TYMP, MTAP JAK2 4657/4885JAK1 3175/4885PNP 9/4885

“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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