SCHEMBL12150656

SCHEMBL12150656

N#Cc1cn([C@@H]2O[C@H](CO)C(O)[C@@H]2O)c2nc(N)[nH]c(=O)c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.54
HIF1A Q16665 1/20 0.49
PAX8 Q06710 1/20 0.49
ADK P55263 1/20 0.49
DOT1L Q8TEK3 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
TLR7 Q9NYK1 2/20 0.46
LMNA P02545 2/20 0.46
MTOR P42345 2/20 0.46
ALDH1A1 P00352 2/20 0.46
THRB P10828 1/20 0.46
MDM2 Q00987 1/20 0.46
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
GMNN O75496 1/20 0.46
TP53 P04637 1/20 0.46
NFKB1 P19838 1/20 0.46

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
SCHEMBL12154731 1.00 PNP (0.54) PNPHIF1APAX8ADKDOT1L
SCHEMBL6729944 1.00 PNP (0.54) PNPHIF1APAX8ADKDOT1L
SCHEMBL6727042 1.00 PNP (0.54) PNPHIF1APAX8ADKDOT1L
SCHEMBL1737182 1.00 PNP (0.54) PNPHIF1APAX8ADKDOT1L
SCHEMBL16198949 1.00 PNP (0.54) PNPHIF1APAX8ADKDOT1L
SCHEMBL1740288 1.00 PNP (0.54) PNPHIF1APAX8ADKDOT1L
SCHEMBL7644667 0.89 PAX8 (0.52) HIF1APAX8ADKDOT1LLMNA
SCHEMBL12154587 0.89 PNP (0.45) PNPHIF1APAX8ADKDOT1L
SCHEMBL12150669 0.89 PNP (0.45) PNPHIF1APAX8ADKDOT1L
SCHEMBL6731792 0.89 PNP (0.45) PNPHIF1APAX8ADKDOT1L

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139604-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2015-09-22 US disclosed
US-9139604-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2015-09-22 US disclosed
US-20150025039-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. 2015-01-22 US disclosed
US-20150025039-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. 2015-01-22 US disclosed
US-8871785-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2014-10-28 US disclosed
US-20110288053-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2011-11-24 US disclosed
US-8022083-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2011-09-20 US disclosed
US-8022083-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2011-09-20 US disclosed
US-20110071101-A1 Nucleoside Phosphonate Analogs BOOJAMRA CONSTANTINE G 2011-03-24 US disclosed
US-20090275535-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. 2009-11-05 US disclosed
US-20090275535-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. 2009-11-05 US disclosed
US-7429565-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-09-30 US disclosed
US-7429565-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-09-30 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 (4 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-20150025039-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP PNP 3/4885HIF1A 2736/4885PAX8 4042/4885
US-20110071101-A1 Nucleoside Phosphonate Analogs TYMP, PNP, NUDT1 PNP 2/4885HIF1A 2717/4885PAX8 3713/4885
US-20110288053-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP PNP 3/4885HIF1A 2736/4885PAX8 4042/4885
US-20090275535-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP PNP 3/4885HIF1A 2736/4885PAX8 4042/4885

“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.