SCHEMBL887194

SCHEMBL887194

COc1nc2ncnc(N)c2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.58
ADORA1 P30542 1/20 0.58
NUDT1 P36639 2/20 0.57
PI4KA P42356 8/20 0.50
PI4K2B Q8TCG2 8/20 0.50
PI4K2A Q9BTU6 8/20 0.50
PI4KB Q9UBF8 8/20 0.50
LMNA P02545 3/20 0.45
TSHR P16473 1/20 0.45
DRD3 P35462 1/20 0.44
XDH P47989 1/20 0.44
LRRK2 Q5S007 1/20 0.44
ERBB2 P04626 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
PKM P14618 1/20 0.43
APEX1 P27695 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL42314 0.80 ADORA2A (0.66) ADORA2AADORA1NUDT1PI4KAPI4K2B
SCHEMBL29400753 0.80 ADORA2A (0.66) ADORA2AADORA1NUDT1PI4KAPI4K2B
SCHEMBL30109321 0.79 NUDT1 (0.68) ADORA2AADORA1NUDT1PI4KAPI4K2B
SCHEMBL1059581 0.79 NUDT1 (0.68) ADORA2AADORA1NUDT1PI4KAPI4K2B
SCHEMBL887193 0.78 MAP4K4 (0.39) ADORA2AADORA1NUDT1PI4KAPI4K2B
SCHEMBL8566 0.73 ADORA2A (1.00) ADORA2AADORA1NUDT1PI4KAPI4K2B
SCHEMBL843169 0.73 ADORA2A (0.61) ADORA2AADORA1NUDT1PI4KAPI4K2B
SCHEMBL1251786 0.73
SCHEMBL842440 0.73 ADORA2A (0.61) ADORA2AADORA1NUDT1PI4KAPI4K2B
SCHEMBL42335 0.73 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 51 patents — showing the first 20. 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
US-5665541-A Formation of triple helix complexes for the detection of double stranded DNA sequences using oligomers which comprise an 8-modified purine base THE JOHNS HOPKINS UNIVERSITY (US) 1997-09-09 US claimed
EP-0672171-A1 FORMATION OF TRIPLE HELIX COMPLEXES OF DOUBLE STRANDED DNA USING NUCLEOSIDE OLIGOMERS WHICH COMPRISE PURINE BASE ANALOGS THE JOHNS HOPKINS UNIVERSITY (US) 1995-09-20 EP claimed
WO-1993005180-A1 FORMATION OF TRIPLE HELIX COMPLEXES OF DOUBLE STRANDED DNA USING NUCLEOSIDE OLIGOMERS WHICH COMPRISE PURINE BASE ANALOGS THE JOHNS HOPKINS UNIVERSITY (US) 1993-03-18 WO claimed
US-10391166-B2 Short oligonucleotides as vaccine adjuvants and therapeutic agents SPRING BREAK PHARMACEUTICALS, INC. (US) 2019-08-27 US disclosed
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
CN-105992587-A Design of short oligonucleotides as vaccine adjuvants and therapeutic agents 春堤制药公司 2016-10-05 CN disclosed
US-20160016983-A1 New Modified Nucleic Acid TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-21 US disclosed
US-20150374816-A1 DESIGN OF SHORT OLIGONUCLEOTIDES AS VACCINE ADJUVANTS AND THERAPEUTIC AGENTS SPRING BANK PHARMACEUTICALS, INC. 2015-12-31 US disclosed
EP-2956145-A2 DESIGN OF SHORT OLIGONUCLEOTIDES AS VACCINE ADJUVANTS AND THERAPEUTIC AGENTS Spring Bank Pharmaceuticals, Inc. (US) 2015-12-23 EP disclosed
EP-2915815-A1 NEW MODIFIED NUCLEIC ACID Takeda Pharmaceutical Company Limited (JP) 2015-09-09 EP disclosed
US-5968745-A ELECTRODE OF SUBSTRATE HAVING ELECTROCONDUCTIVE WORKING SURFACE AND A NONCONDUCTIVE OUTER POLYMER LAYER WHERE PROBES CAN BE ATTACHED HAVING MICROFLUIDIC REACTION OPENINGS FOR TRANSITION METAL COMPLEX TO TRANSFER ELECTRONS TO SURFACE THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1999-10-19 US disclosed
US-5871918-A DNA AND RNA HYBRIDIZATION DETECTION BY REACTION WITH TRANSITION METAL COMPLEX FOR OXIDATION-REDUCTION REACTION THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1999-02-16 US disclosed
EP-0871773-A2 ELECTROCHEMICAL DETECTION OF NUCLEIC ACID HYBRIDIZATION UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1998-10-21 EP disclosed
CN-1192249-A Electrochemical detection of nucleic acid hybridization UNIV NORTH CAROLINA (US) 1998-09-02 CN disclosed
US-5665541-A Formation of triple helix complexes for the detection of double stranded DNA sequences using oligomers which comprise an 8-modified purine base THE JOHNS HOPKINS UNIVERSITY (US) 1997-09-09 US disclosed
WO-1997001646-A2 ELECTROCHEMICAL DETECTION OF NUCLEIC ACID HYBRIDIZATION THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1997-01-16 WO disclosed
EP-0672171-A1 FORMATION OF TRIPLE HELIX COMPLEXES OF DOUBLE STRANDED DNA USING NUCLEOSIDE OLIGOMERS WHICH COMPRISE PURINE BASE ANALOGS THE JOHNS HOPKINS UNIVERSITY (US) 1995-09-20 EP disclosed
WO-1993005180-A1 FORMATION OF TRIPLE HELIX COMPLEXES OF DOUBLE STRANDED DNA USING NUCLEOSIDE OLIGOMERS WHICH COMPRISE PURINE BASE ANALOGS THE JOHNS HOPKINS UNIVERSITY (US) 1993-03-18 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 (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-20150374816-A1 DESIGN OF SHORT OLIGONUCLEOTIDES AS VACCINE ADJUVANTS AND THERAPEUTIC AGENTS TLR3, TLR5, TLR9 ADORA2A 303/4885ADORA1 35/4885NUDT1 60/4885
US-20160016983-A1 New Modified Nucleic Acid RNGTT, RNASEH1, RNASE1 ADORA2A 299/4885ADORA1 360/4885NUDT1 202/4885
US-10391166-B2 Short oligonucleotides as vaccine adjuvants and therapeutic agents TLR3, TLR5, TLR9 ADORA2A 292/4885ADORA1 44/4885NUDT1 67/4885

“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.