SCHEMBL381111

SCHEMBL381111

c1ncc2ncn(-c3c[nH]nn3)c2n1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 1/20 0.40
FDPS P14324 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.33
LTA4H P09960 1/20 0.33
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 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
SCHEMBL28189820 0.75 MKNK2 (0.42) MKNK2FDPSIRAK4LTA4HHDAC1
SCHEMBL20520353 0.72 MKNK2 (0.42) MKNK2FDPSIRAK4LTA4HHDAC1
SCHEMBL4734481 0.72 MKNK2 (0.37) MKNK2FDPSIRAK4LTA4HHDAC1
SCHEMBL3697841 0.71 MKNK2 (0.49) MKNK2FDPSIRAK4LTA4HHDAC1
SCHEMBL4542537 0.70 POLB (0.54) MKNK2FDPSLTA4H
SCHEMBL793846 0.69 MKNK2 (0.48) MKNK2FDPSLTA4HHDAC1HDAC6
SCHEMBL27474268 0.69 MKNK2 (0.40) MKNK2FDPSIRAK4LTA4HHDAC1
SCHEMBL29229251 0.68 MKNK2 (0.39) MKNK2FDPSIRAK4LTA4HHDAC1
SCHEMBL28839763 0.67 MKNK2 (0.43) MKNK2FDPSIRAK4LTA4HHDAC1
SCHEMBL680855 0.67 FGFR1 (0.56) MKNK2LTA4H

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
CN-109761984-B Method for synthesizing chiral five-membered carbocyclic purine nucleoside by asymmetric hydrogen transfer 河南师范大学 2020-07-07 CN claimed
CN-109761984-A The method of asymmetric five yuan of carbocyclic purine nucleosides of hydrogen migration synthesis of chiral 河南师范大学 2019-05-17 CN claimed
CN-109761984-B Method for synthesizing chiral five-membered carbocyclic purine nucleoside by asymmetric hydrogen transfer 河南师范大学 2020-07-07 CN disclosed
CN-109761984-A The method of asymmetric five yuan of carbocyclic purine nucleosides of hydrogen migration synthesis of chiral 河南师范大学 2019-05-17 CN disclosed
CN-109761984-A The method of asymmetric five yuan of carbocyclic purine nucleosides of hydrogen migration synthesis of chiral 河南师范大学 2019-05-17 CN disclosed
EP-2564871-B1 Therapeutic Agent for Migraine KYOWA HAKKO KIRIN CO LTD (JP) 2017-11-15 EP disclosed
US-20160002244-A1 OXIDATED DERIVATIVES OF TRIAZOLYLPURINES USEFUL AS LIGANDS OF THE ADENOSINE A2A RECEPTOR AND THEIR USE AS MEDICAMENTS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2016-01-07 US disclosed
US-20160002244-A1 OXIDATED DERIVATIVES OF TRIAZOLYLPURINES USEFUL AS LIGANDS OF THE ADENOSINE A2A RECEPTOR AND THEIR USE AS MEDICAMENTS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2016-01-07 US disclosed
US-9133197-B2 Oxidated derivatives of triazolylpurines useful as ligands of the adenosine A2A receptor and their use as medicaments SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2015-09-15 US disclosed
US-9133197-B2 Oxidated derivatives of triazolylpurines useful as ligands of the adenosine A2A receptor and their use as medicaments SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2015-09-15 US disclosed
US-9133197-B2 Oxidated derivatives of triazolylpurines useful as ligands of the adenosine A2A receptor and their use as medicaments SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2015-09-15 US disclosed
WO-2003011864-A1 DERIVATIVES OF TRIAZOLYL-IMIDAZOPYRIDINE AND OF THE TRIAZOLYLPURINES USEFUL AS LIGANDS OF THE ADENOSINE A2a RECEPTOR AND THEIR USE AS MEDICAMENTS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2003-02-13 WO disclosed
WO-2002040631-A2 DIPEPTIDE SERYL-HISTIDINE AND RELATED OLIGOPEPTIDES CLEAVE DNA, PROTEIN, AND A CARBOXYL ESTER OHIO UNIVERSITY (US) 2002-05-23 WO disclosed
EP-1073891-A2 METHOD OF PREDICITING RECEPTOR MODULATING ACTIVITY Karo Bio USA, Inc. (US) 2001-02-07 EP disclosed
EP-1002235-A1 METHOD OF IDENTIFYING AND DEVELOPING DRUG LEADS Novalon Pharmaceutical Corporation (US) 2000-05-24 EP disclosed
WO-1999054728-A2 METHOD OF PREDICTING RECEPTOR MODULATING ACTIVITY KARO BIO USA, INC. (US) 1999-10-28 WO disclosed
EP-0937253-A1 IDENTIFICATION OF DRUGS USING COMPLEMENTARY COMBINATORIAL LIBRARIES Novalon Pharmaceutical Corporation (US) 1999-08-25 EP disclosed
WO-1999006839-A1 METHOD OF IDENTIFYING AND DEVELOPING DRUG LEADS NOVALON PHARMACEUTICAL CORPORATION (US) 1999-02-11 WO disclosed
WO-1998019162-A9 IDENTIFICATION OF DRUGS USING COMPLEMENTARY COMBINATORIAL LIBRARIES 1998-07-09 WO disclosed
WO-1998019162-A1 IDENTIFICATION OF DRUGS USING COMPLEMENTARY COMBINATORIAL LIBRARIES NOVALON PHARMACEUTICAL CORPORATION (US) 1998-05-07 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 (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-20160002244-A1 OXIDATED DERIVATIVES OF TRIAZOLYLPURINES USEFUL AS LIGANDS OF THE ADENOSINE A2A RECEPTOR AND THEIR USE AS MEDICAMENTS ADORA2A, ADORA3, ADORA1 MKNK2 2702/4885FDPS 2401/4885IRAK4 1630/4885

“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.