SCHEMBL4585142

SCHEMBL4585142

O=C(Nc1nc(=O)n([C@H]2CC[C@@H](CO)O2)cc1F)c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.55
RIN1 Q13671 1/20 0.55
ADORA3 P0DMS8 2/20 0.39
TMIGD3 P0DMS9 1/20 0.39
CYP1A2 P05177 1/20 0.39
GAA P10253 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
ABCB1 P08183 1/20 0.37
THRB P10828 1/20 0.37
LMNA P02545 1/20 0.37
HIF1A Q16665 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2A6 P11509 1/20 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
SCHEMBL4585727 0.87 ABL1 (0.55) ABL1RIN1CYP1A2GAASMN1; SMN2
SCHEMBL4585849 0.87 ABL1 (0.56) ABL1RIN1TMIGD3CYP1A2SMN1; SMN2
SCHEMBL4584722 0.85 ABL1 (0.54) ABL1RIN1ADORA3CYP1A2L3MBTL1
SCHEMBL10211465 0.85 ABL1 (0.54) ABL1RIN1ADORA3CYP1A2NPC1
SCHEMBL10211467 0.85 ABL1 (0.54) ABL1RIN1CYP1A2GAASMN1; SMN2
SCHEMBL4586674 0.85 ABL1 (0.55) ABL1RIN1ADORA3TMIGD3CYP1A2
SCHEMBL10211462 0.85 ABL1 (0.57) ABL1RIN1TMIGD3CYP1A2SMN1; SMN2
SCHEMBL10211459 0.85 ABL1 (0.55) ABL1RIN1CYP1A2MEN1ALDH1A1
SCHEMBL10211463 0.85 ABL1 (0.55) ABL1RIN1CYP1A2GAARAB9A
SCHEMBL10211477 0.83 ABL1 (0.53) ABL1RIN1CYP1A2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202766-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS PHARMASSET, INC. (US) 2012-08-09 US disclosed
EP-1569652-A4 N SP 4 /SP-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL IINFECTIONS PHARMASSET INC (US) 2008-07-02 EP disclosed
EP-1569652-A2 N SP 4 /SP-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL IINFECTIONS Pharmasset Ltd. (BB) 2005-09-07 EP disclosed
WO-2003063771-A2 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL IINFECTIONS PHARMASSET LTD. (BB) 2003-08-07 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-20120202766-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS ENTPD5, DUT, NT5C3B ABL1 3525/4885RIN1 2790/4885ADORA3 97/4885

“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.