SCHEMBL338855

SCHEMBL338855

O=c1[nH]c2cccnc2s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
PARP1 P09874 3/20 0.41
DAO P14920 2/20 0.41
PDE3B Q13370 4/20 0.40
PDE3A Q14432 4/20 0.40
ATAD2 Q6PL18 1/20 0.40
PDE2A O00408 1/20 0.39
PDE6D O43924 1/20 0.39
PDE8A O60658 1/20 0.39
PDE5A O76074 1/20 0.39
PDE9A O76083 1/20 0.39
PDE8B O95263 1/20 0.39
PDE6A P16499 1/20 0.39
PDE6G P18545 1/20 0.39
PDE4A P27815 1/20 0.39
PDE6B P35913 1/20 0.39
PDE6C P51160 1/20 0.39
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE4B Q07343 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
SCHEMBL30775064 0.76 PSMB8 (0.48) KDM4EPARP1METAP1CYP2A6NUDT1
SCHEMBL1002214 0.76 PSMB8 (0.48) KDM4EPARP1METAP1CYP2A6NUDT1
SCHEMBL341252 0.69 PDE3B (0.49) PARP1DAOPDE3BPDE3AALDH1A1
SCHEMBL339945 0.68 PDE3B (0.40) PARP1DAOPDE3BPDE3A
SCHEMBL28673518 0.68 PDE3B (0.36) PDE3BPDE3A
SCHEMBL8921291 0.67 CMA1 (0.50) PDE3BPDE3A
SCHEMBL7712018 0.67 PDE3B (0.42) KDM4EPDE3BPDE3AALDH1A1
SCHEMBL12642502 0.66
SCHEMBL83411 0.66 CMA1 (0.59) KDM4EPDE3BPDE3AALDH1A1SYK
SCHEMBL29667911 0.66 CMA1 (0.59) KDM4EPDE3BPDE3AALDH1A1SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59130890-A None JP disclosed
JP-59005192-A None JP disclosed
US-11248234-B2 Herbicide-resistant hydroxyphenylpyruvate dioxygenases BASF SE (DE) 2022-02-15 US disclosed
US-20220024907-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2022-01-27 US disclosed
US-11174251-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2021-11-16 US disclosed
EP-2598500-B1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS INC (US) 2021-05-19 EP disclosed
US-20200216431-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2020-07-09 US disclosed
US-20200115371-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2020-04-16 US disclosed
US-10619138-B2 Herbicide-resistant hydroxyphenylpyruvate dioxygenases BASF SE (DE) 2020-04-14 US disclosed
US-10556891-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2020-02-11 US disclosed
EP-1414825-B9 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2009-09-16 EP disclosed
US-20080207642-A1 Thienopyrimidinediones and Their Use in the Modulation of Autoimmune Disease ASTRAZENECA AB (SE) 2008-08-28 US disclosed
US-7384950-B2 Thienopyrimidinediones and their use in the modulation of autoimmune disease ASTRAZENECA AB (SE) 2008-06-10 US disclosed
EP-1414825-B1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2007-09-26 EP disclosed
US-20040254198-A1 Thienopyrimidinediones and their use in the modulation of autoimmune disease ASTRAZENECA AB (SE) 2004-12-16 US disclosed
EP-1414825-A1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE AstraZeneca AB (SE) 2004-05-06 EP disclosed
WO-2003011868-A1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2003-02-13 WO disclosed
US-5053408-A Cardiovascular disorders KYOWA HAKKO KOGYO CO., LTD. (JP) 1991-10-01 US disclosed
JP-S59130890-A CARBOXYLIC ACID DERIVATIVE OTSUKA PHARMACEUT FACTORY INC 1984-07-27 JP disclosed
JP-S595192-A CARBOXYLIC ACID DERIVATIVE OTSUKA PHARMACEUT FACTORY INC 1984-01-12 JP 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 (8 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-20200115371-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 KDM4E 2724/4885PARP1 3186/4885DAO 1522/4885
US-20200216431-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 KDM4E 2770/4885PARP1 3106/4885DAO 1764/4885
US-11174251-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 KDM4E 2724/4885PARP1 3186/4885DAO 1522/4885
US-10556891-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 KDM4E 2770/4885PARP1 3106/4885DAO 1764/4885
US-10619138-B2 Herbicide-resistant hydroxyphenylpyruvate dioxygenases HPD, PHPT1, DERA KDM4E 1659/4885PARP1 2561/4885DAO 256/4885
US-20040254198-A1 Thienopyrimidinediones and their use in the modulation of autoimmune disease TPMT, CBR1, CYP2D6 KDM4E 1355/4885PARP1 826/4885DAO 1310/4885
US-20220024907-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 KDM4E 2724/4885PARP1 3186/4885DAO 1522/4885
US-20080207642-A1 Thienopyrimidinediones and Their Use in the Modulation of Autoimmune Disease C5, TPMT, C9 KDM4E 2081/4885PARP1 1123/4885DAO 2131/4885

“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.