SCHEMBL3354788

SCHEMBL3354788

Nc1ncnc2c1NN=[N+]2

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.31
PI4KA P42356 3/20 0.31
PI4K2B Q8TCG2 3/20 0.31
PI4K2A Q9BTU6 3/20 0.31
PI4KB Q9UBF8 3/20 0.31
XDH P47989 2/20 0.31
RET P07949 2/20 0.31
LMNA P02545 1/20 0.31
DRD3 P35462 1/20 0.31
ERAP1 Q9NZ08 1/20 0.31
CHEK1 O14757 1/20 0.31
DAPK3 O43293 1/20 0.31
PRKD3 O94806 1/20 0.31
MAP4K4 O95819 1/20 0.31
CSF1R P07333 1/20 0.31
FGFR1 P11362 1/20 0.31
FLT1 P17948 1/20 0.31
LTK P29376 1/20 0.31
GRK5 P34947 1/20 0.31
KDR P35968 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
SCHEMBL536971 0.67 LRRK2 (0.31) LRRK2PI4KAPI4K2BPI4K2API4KB
SCHEMBL2255360 0.64 DAPK3 (0.30) RETDAPK3PRKD3MAP4K4CSF1R
SCHEMBL2254848 0.64 DAPK3 (0.33) RETDAPK3PRKD3MAP4K4CSF1R
SCHEMBL14793616 0.64 DAPK3 (0.30) RETDAPK3PRKD3MAP4K4CSF1R
SCHEMBL2260102 0.61 PDE5A (0.32)
SCHEMBL14793625 0.60
SCHEMBL6055417 0.57 PNP (0.41) XDHLMNA
SCHEMBL8553010 0.57 RET (0.34) LRRK2PI4KAPI4K2BPI4K2API4KB
SCHEMBL1718947 0.57
SCHEMBL18520344 0.57 RET (0.36) LRRK2PI4KAPI4K2BPI4K2API4KB

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0719273-B1 NUCLEOTIDE ANALOGS GILEAD SCIENCES INC (US) 2010-11-03 EP claimed
US-20040248844-A1 Method for the treatment or prevention of Flavivirus infections using nucleoside analogues ISMAILI HICHAM MOULAY ALAOUI (CA) 2004-12-09 US claimed
WO-2004106350-A1 NUCLEOSIDE ANALOGS AS VIRAL POLYMERASE INHIBITORS BIOCRYST PHARMACEUTICAL, INC. (US) 2004-12-09 WO claimed
US-20040242465-A1 Nucleotide analogs BISCHOFBERGER NORBERT W (US) 2004-12-02 US claimed
US-20040229839-A1 Substituted nucleosides, preparation thereof and use as inhibitors of RNA viral polymerases BIOCRYST PHARMACEUTICALS, INC. (US) 2004-11-18 US claimed
US-6784161-B2 VIRICIDES FOR HEPATITIS C BIOCHEM PHARMA, INC. (CA) 2004-08-31 US claimed
US-20040014722-A1 Nucleosides, preparation thereof and use as inhibitors of RNA viral polymerases BIOCRYST PHARMACEUTICALS, INC. 2004-01-22 US claimed
US-20020019363-A1 Method for the treatment or prevention of flavivirus infections using nucleoside analogues VIROCHEM PHARMA INC. (CA) 2002-02-14 US claimed
US-20010041794-A1 Nucleotide analogs GILEAD SCIENCES, INC. 2001-11-15 US claimed
US-6225460-B1 PHOSPHOAMIDATE OR ESTER BOND THAT IS HYDROLYZED IN VIVO TO YIELD A CORRESPONDING PHOSPHONATE NUCLEOTIDE ANALOG. GILEAD SCIENCES, INC. 2001-05-01 US claimed
US-5656745-A AMIDATE LINKAGE; ANTITUMOR, ANTICARCINOGENIC AGENTS GILEAD SCIENCES, INC. (US) 1997-08-12 US claimed
EP-0719273-A1 NUCLEOTIDE ANALOGS GILEAD SCIENCES, INC. (US) 1996-07-03 EP claimed
WO-1995007920-A1 NUCLEOTIDE ANALOGS GILEAD SCIENCES, INC. (US) 1995-03-23 WO claimed
EP-0236935-A2 Carboxylic purine nucleosides, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-09-16 EP claimed
EP-0719273-B1 NUCLEOTIDE ANALOGS GILEAD SCIENCES INC (US) 2010-11-03 EP disclosed
US-20090149648-A1 NUCLEOTIDE ANALOGS GILEAD SCIENCES, INC. (US) 2009-06-11 US disclosed
US-7439350-B2 Nucleotide analogs GILEAD SCIENCES, INC. (US) 2008-10-21 US disclosed
WO-1995007920-A1 NUCLEOTIDE ANALOGS GILEAD SCIENCES, INC. (US) 1995-03-23 WO disclosed
EP-0521463-A2 Substituted cyclic cycloalkyltriols, process, intermediates for their preparation and their use as antiviral and antiparasitic agents HOECHST AKTIENGESELLSCHAFT (DE) 1993-01-07 EP disclosed
US-3935184-A Synthetic polyoxin type nucleosides SYNTEX (U.S.A.) INC. (US) 1976-01-27 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 (7 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-20040242465-A1 Nucleotide analogs PNP, NUDT1, TYMP LRRK2 4433/4885PI4KA 663/4885PI4K2B 1051/4885
US-20040229839-A1 Substituted nucleosides, preparation thereof and use as inhibitors of RNA viral polymerases NSUN2, RNGTT, RNMT LRRK2 3804/4885PI4KA 4097/4885PI4K2B 4251/4885
US-20040248844-A1 Method for the treatment or prevention of Flavivirus infections using nucleoside analogues NUDT1, HAVCR2, SLC28A1 LRRK2 2817/4885PI4KA 4247/4885PI4K2B 4249/4885
US-20020019363-A1 Method for the treatment or prevention of flavivirus infections using nucleoside analogues NUDT1, HAVCR2, SLC28A1 LRRK2 2817/4885PI4KA 4247/4885PI4K2B 4249/4885
US-20010041794-A1 Nucleotide analogs PNP, NUDT1, TYMP LRRK2 4433/4885PI4KA 663/4885PI4K2B 1051/4885
US-20040014722-A1 Nucleosides, preparation thereof and use as inhibitors of RNA viral polymerases NSUN2, POLR2H, NSUN3 LRRK2 4380/4885PI4KA 1991/4885PI4K2B 2162/4885
US-20090149648-A1 NUCLEOTIDE ANALOGS PNP, NUDT1, TYMP LRRK2 4433/4885PI4KA 663/4885PI4K2B 1051/4885

“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.