SCHEMBL1737697

SCHEMBL1737697

C#Cc1c[nH]c2ncnc(Cl)c12

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.56
CHUK O15111 2/20 0.41
LRRK2 Q5S007 4/20 0.39
JAK3 P52333 1/20 0.37
MAP3K7 O43318 2/20 0.36
TAB1 Q15750 2/20 0.36
AKT1 P31749 4/20 0.35
NOTUM Q6P988 1/20 0.34
HSP90AB1 P08238 1/20 0.34
AURKA O14965 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
DPYD Q12882 1/20 0.32
TRPA1 O75762 1/20 0.31

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
SCHEMBL154683 0.82 CHUK (0.61) CHEK1CHUKLRRK2MAP3K7TAB1
SCHEMBL5522171 0.80 LRRK2 (0.40) CHEK1CHUKLRRK2JAK3MAP3K7
SCHEMBL312426 0.79 CHEK1 (0.49) CHEK1CHUKLRRK2JAK3MAP3K7
SCHEMBL9254230 0.79 JAK3 (0.39) CHEK1CHUKLRRK2JAK3MAP3K7
SCHEMBL1735020 0.77 CHEK1 (0.50) CHEK1CHUKLRRK2MAP3K7TAB1
SCHEMBL31329069 0.75 CHEK1 (0.66) CHEK1LRRK2JAK3AKT1NOTUM
SCHEMBL1598149 0.75 CHEK1 (0.66) CHEK1LRRK2JAK3AKT1NOTUM
SCHEMBL5522262 0.74 CHEK1 (0.47) CHEK1CHUKLRRK2
SCHEMBL311539 0.73 CHEK1 (0.46) CHEK1CHUKLRRK2MAP3K7TAB1
SCHEMBL2323682 0.73 CHEK1 (0.63) CHEK1CHUKLRRK2JAK3AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7169918-B2 Methods for preparing 7-(2′-substituted-β-D-ribofuranosyl)-4-(NR2R3)-5-(substituted ethyn-1-yl)-pyrrolo[2,3-d]pyrimidine derivatives GENELABS TECHNOLOGIES, INC. (US) 2007-01-30 US claimed
EP-1682564-A1 METHODS FOR PREPARING 7-(2 -SUBSTITUTED-s-D-RIBOFURANO SYL)-4-(NR2R3)-5-(SUBSTITUTED ETHYN-1-YL)-PYRROLO 2,3-D|PYRIMIDINE DERIVATIVES GENELABS TECHNOLOGIES, INC. (US) 2006-07-26 EP claimed
US-20050215510-A1 Methods for preparing 7-(2'-substituted-beta-D-ribofuranosyl)-4-(NR2R3)-5-(substituted ethyn-1-yl)-pyrrolo[2,3-d]pyrimidine derivatives GENELABS TECHNOLOGIES, INC. 2005-09-29 US claimed
WO-2005044835-A1 METHODS FOR PREPARING 7-(2'-SUBSTITUTED-ß-D-RIBOFURANOSYL)-4-(NR2R3)-5-(SUBSTITUTED ETHYN-1-YL)-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES GENELABS TECHNOLOGIES, INC. (US) 2005-05-19 WO claimed
CN-101600726-B Novel nucleoside analogs for treatment of viral infections NOVARTIS AG CH 2013-03-27 CN disclosed
US-8278282-B2 Nucleoside analogs for treatment of viral infections NOVARTIS AG (CH) 2012-10-02 US disclosed
EP-2132216-B1 NOVEL NUCLEOSIDE ANALOGS FOR TREATMENT OF VIRAL INFECTIONS NOVARTIS PHARMA AG (CH) 2011-11-16 EP disclosed
WO-2011131167-A2 BISTABLE MAGNETIC ACTUATOR JOHNSON ELECTRIC DRESDEN GMBH (DE) 2011-10-27 WO disclosed
US-20100227833-A1 NOVEL NUCLEOSIDE ANALOGS FOR TREATMENT OF VIRAL INFECTIONS NOVARTIS PHARMA AG (CH) 2010-09-09 US disclosed
US-20100144655-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-06-10 US disclosed
WO-2010015643-A1 NEW ANTIVIRAL MODIFIED NUCLEOSIDES NOVARTIS AG (CH) 2010-02-11 WO disclosed
EP-2132216-A1 NOVEL NUCLEOSIDE ANALOGS FOR TREATMENT OF VIRAL INFECTIONS Novartis Pharma AG. (CH) 2009-12-16 EP disclosed
CN-101600726-A The novel nucleoside analogs that is used for the treatment of virus infection NOVARTIS AG (CH) 2009-12-09 CN disclosed
WO-2008095993-A1 NOVEL NUCLEOSIDE ANALOGS FOR TREATMENT OF VIRAL INFECTIONS NOVARTIS AG (CH) 2008-08-14 WO disclosed
US-7169918-B2 Methods for preparing 7-(2′-substituted-β-D-ribofuranosyl)-4-(NR2R3)-5-(substituted ethyn-1-yl)-pyrrolo[2,3-d]pyrimidine derivatives GENELABS TECHNOLOGIES, INC. (US) 2007-01-30 US disclosed
US-20050215510-A1 Methods for preparing 7-(2'-substituted-beta-D-ribofuranosyl)-4-(NR2R3)-5-(substituted ethyn-1-yl)-pyrrolo[2,3-d]pyrimidine derivatives GENELABS TECHNOLOGIES, INC. 2005-09-29 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 (3 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-20100227833-A1 NOVEL NUCLEOSIDE ANALOGS FOR TREATMENT OF VIRAL INFECTIONS MAVS, HAVCR2, SAMHD1 CHEK1 2223/4885CHUK 1062/4885LRRK2 3561/4885
US-20050215510-A1 Methods for preparing 7-(2'-substituted-beta-D-ribofuranosyl)-4-(NR2R3)-5-(substituted ethyn-1-yl)-pyrrolo[2,3-d]pyrimidine derivatives HAVCR2, NR4A3, NR2C2 CHEK1 4549/4885CHUK 2910/4885LRRK2 2992/4885
US-20100144655-A1 ORGANIC COMPOUNDS OAT, MAVS, HAVCR2 CHEK1 2545/4885CHUK 1548/4885LRRK2 3881/4885

“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.