SCHEMBL4424909

SCHEMBL4424909

C=Cc1nc2ncnc(N)c2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.56
ADORA1 P30542 1/20 0.56
NUDT1 P36639 2/20 0.51
PI4KA P42356 8/20 0.49
PI4K2B Q8TCG2 8/20 0.49
PI4K2A Q9BTU6 8/20 0.49
PI4KB Q9UBF8 8/20 0.49
LMNA P02545 3/20 0.44
TSHR P16473 2/20 0.44
DRD3 P35462 1/20 0.43
XDH P47989 1/20 0.43
LRRK2 Q5S007 1/20 0.43
ERBB2 P04626 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
APEX1 P27695 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ERAP1 Q9NZ08 1/20 0.39

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
SCHEMBL6577456 0.82 ADORA2A (0.56) ADORA2AADORA1NUDT1PI4KAPI4K2B
SCHEMBL17060219 0.76 ADORA2A (0.37) ADORA2AADORA1NUDT1PI4KAPI4K2B
SCHEMBL4412912 0.76 ADORA2A (0.49) ADORA2AADORA1NUDT1PI4KAPI4K2B
SCHEMBL29400753 0.75 ADORA2A (0.66) ADORA2AADORA1NUDT1PI4KAPI4K2B
SCHEMBL42314 0.75 ADORA2A (0.66) ADORA2AADORA1NUDT1PI4KAPI4K2B
SCHEMBL669407 0.75 PI4KA (0.56) ADORA2AADORA1NUDT1PI4KAPI4K2B
SCHEMBL30109321 0.73 NUDT1 (0.68) ADORA2AADORA1NUDT1PI4KAPI4K2B
SCHEMBL1059581 0.73 NUDT1 (0.68) ADORA2AADORA1NUDT1PI4KAPI4K2B
SCHEMBL17440085 0.72 ADORA2A (0.49) ADORA2AADORA1NUDT1PI4KAPI4K2B
SCHEMBL843169 0.72 ADORA2A (0.61) ADORA2AADORA1NUDT1PI4KAPI4K2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9725474-B2 Modified nucleic acid TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-08-08 US claimed
EP-2915815-B1 NEW MODIFIED NUCLEIC ACID TAKEDA PHARMACEUTICALS CO (JP) 2018-01-17 EP disclosed
US-9725474-B2 Modified nucleic acid TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-08-08 US disclosed
US-20160016983-A1 New Modified Nucleic Acid TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-21 US disclosed
US-9156874-B2 Double-liver-targeting phosphoramidate and phosphonoamidate prodrugs NANJING MOLECULAR RESEARCH, INC. (CN) 2015-10-13 US disclosed
EP-2915815-A1 NEW MODIFIED NUCLEIC ACID Takeda Pharmaceutical Company Limited (JP) 2015-09-09 EP disclosed
US-9095599-B2 O-(substituted benzyl) phosphoramidate compounds and therapeutic use NANJING MOLECULAR RESEARCH, INC. (CN) 2015-08-04 US disclosed
US-20140038916-A1 O-(SUBSTITUTED BENZYL) PHOSPHORAMIDATE COMPOUNDS AND THERAPEUTIC USE NANJING MOLECULAR RESEARCH, INC. (CN) 2014-02-06 US disclosed
WO-2013187978-A1 DOUBLE-LIVER-TARGETING PHOSPHORAMIDATE AND PHOSPHONOAMIDATE PRODRUGS NANJING MOLECULAR RESEARCH, INC. (CN) 2013-12-19 WO disclosed
US-20130210757-A1 DOUBLE-LIVER-TARGETING PHOSPHORAMIDATE AND PHOSPHONOAMIDATE PRODRUGS NANJING MOLECULAR RESEARCH, INC. (CN) 2013-08-15 US disclosed
WO-2012094248-A1 O-(SUBSTITUTED BENZYL) PHOSPHORAMIDATE COMPOUNDS AND THERAPEUTIC USE NANJING MOLECULAR RESEARCH, INC. (CN) 2012-07-12 WO disclosed
US-7585851-B2 3′-prodrugs of 2′-deoxy-β-L-nucleosides IDENIX PHARMACEUTICALS, INC. (US) 2009-09-08 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-20140038916-A1 O-(SUBSTITUTED BENZYL) PHOSPHORAMIDATE COMPOUNDS AND THERAPEUTIC USE PNP, PAICS, TYMP ADORA2A 235/4885ADORA1 238/4885NUDT1 6/4885
US-20160016983-A1 New Modified Nucleic Acid RNGTT, RNASEH1, RNASE1 ADORA2A 299/4885ADORA1 360/4885NUDT1 202/4885
US-20130210757-A1 DOUBLE-LIVER-TARGETING PHOSPHORAMIDATE AND PHOSPHONOAMIDATE PRODRUGS PNP, PAICS, NTPCR ADORA2A 68/4885ADORA1 74/4885NUDT1 43/4885

“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.