SCHEMBL325140

SCHEMBL325140

c1ccc(Cn2cnc3ncncc32)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
LTA4H P09960 1/20 0.60
CYP11B1 P15538 6/20 0.54
CYP11B2 P19099 6/20 0.54
TNF P01375 1/20 0.54
KDM4C Q9H3R0 1/20 0.54
IDO1 P14902 1/20 0.45
MET P08581 1/20 0.43
ADORA2A P29274 1/20 0.43
PI4KA P42356 1/20 0.43
PI4K2B Q8TCG2 1/20 0.43
PI4K2A Q9BTU6 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 3/20 0.43
HPGDS O60760 1/20 0.42
TSHR P16473 2/20 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
SCHEMBL6660983 0.84 HDAC1 (0.62) HDAC1HDAC6LTA4HCYP11B1CYP11B2
SCHEMBL30227032 0.81 HDAC1 (0.58) HDAC1HDAC6LTA4HCYP11B1CYP11B2
SCHEMBL31229158 0.77 CYP11B1 (0.62) LTA4HCYP11B1CYP11B2TNFKDM4C
SCHEMBL12472644 0.77 HDAC6 (1.00) HDAC1HDAC6MET
SCHEMBL28290149 0.76 CYP11B1 (0.53) HDAC1HDAC6CYP11B1CYP11B2TNF
SCHEMBL7138434 0.76 LTA4H (1.00) LTA4HLMNAKMT2A
SCHEMBL12472198 0.76 HDAC6 (0.72) HDAC1HDAC6LTA4HCYP11B1CYP11B2
SCHEMBL7815689 0.75 CYP11B1 (0.51) CYP11B1CYP11B2TNFKDM4CADORA2A
9-Benzyl-9H-Purine SCHEMBL434620 0.74 HDAC1 (0.61) HDAC1HDAC6LTA4HCYP11B1CYP11B2
SCHEMBL48336 0.74 ADORA2A (0.47) HDAC1HDAC6LTA4HADORA2API4KA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0728757-B1 Process for producing purine derivatives AJINOMOTO KK (JP) 2001-10-04 EP claimed
US-6252075-B1 REACTING A 7-BENZYLPURINE COMPOUND WITH A 1,3-DIOXEPANE COMPOUND AJINOMOTO CO., INC. (JP) 2001-06-26 US claimed
US-5942617-A Process for producing purine derivatives AJINOMOTO CO., INC. (JP) 1999-08-24 US claimed
US-5831092-A Process for producing purine derivatives AJINOMOTO CO., INC. (JP) 1998-11-03 US claimed
EP-0827960-A1 Process for producing purine derivatives Ajinomoto Co., Inc. (JP) 1998-03-11 EP claimed
EP-0728757-A1 Process for producing purine derivatives Ajinomoto Co., Inc. (JP) 1996-08-28 EP claimed
JP-8291175-A None JP disclosed
JP-10120682-A None JP disclosed
EP-1501851-B1 PROCESS FOR PREPARING OLIGONUCLEOTIDES NITTO DENKO AVECIA INC (US) 2013-02-13 EP disclosed
US-8093397-B2 Activators for oligonucleotide synthesis AVECIA BIOTECHNOLOGY, INC. (US) 2012-01-10 US disclosed
EP-1575975-B1 PROCESS FOR THE PREPARATION OF OLIGONUCLEOTIDES AVECIA BIOTECHNOLOGY INC (US) 2010-10-27 EP disclosed
US-7635772-B2 Process for the preparation of oligonucleotides AVECIA BIOTECHNOLOGY INC. (US) 2009-12-22 US disclosed
US-20090085006-A1 Activators for oligonucleotide synthesis AVECIA BIOTECHNOLOGY, INC. (US) 2009-04-02 US disclosed
US-5942617-A Process for producing purine derivatives AJINOMOTO CO., INC. (JP) 1999-08-24 US disclosed
US-5831092-A Process for producing purine derivatives AJINOMOTO CO., INC. (JP) 1998-11-03 US disclosed
JP-H10120682-A PRODUCTION OF PURINE DERIVATIVE AJINOMOTO CO INC 1998-05-12 JP disclosed
EP-0827960-A1 Process for producing purine derivatives Ajinomoto Co., Inc. (JP) 1998-03-11 EP disclosed
EP-0827960-A1 Process for producing purine derivatives Ajinomoto Co., Inc. (JP) 1998-03-11 EP disclosed
JP-H08291175-A PRODUCTION OF PURINE DERIVATIVE AJINOMOTO CO INC 1996-11-05 JP disclosed
EP-0728757-A1 Process for producing purine derivatives Ajinomoto Co., Inc. (JP) 1996-08-28 EP 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 (1 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-20090085006-A1 Activators for oligonucleotide synthesis MED12, ORC3, NOP2 HDAC1 963/4885HDAC6 2790/4885LTA4H 3385/4885

“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.