SCHEMBL2460092

SCHEMBL2460092

[O-][S+]1CCN(c2nc(NCCO)nc3c(SCc4ccccc4)ncnc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 14/20 0.45
PDE4A P27815 2/20 0.44
PDE4B Q07343 2/20 0.44
PDE4C Q08493 2/20 0.44
PDE4D Q08499 2/20 0.44
CYP1A2 P05177 1/20 0.41
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38
GBA1 P04062 2/20 0.37

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
SCHEMBL11046570 0.95 CYP1A2 (0.40) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL10972196 0.93 SLC29A1 (0.40) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11049547 0.93 SLC29A1 (0.40) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11052740 0.92 KCNH3 (0.39) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL10970925 0.92 SLC29A1 (0.43) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11029641 0.92 PDE4A (0.42) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11026335 0.92 PDE4A (0.44) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11032824 0.91 SLC29A1 (0.43) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11049628 0.91 SLC29A1 (0.43) SLC29A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11028181 0.91 SLC29A1 (0.43) SLC29A1PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0055444-B1 TRISUBSTITUTED PYRIMIDO(5,4-D)PYRIMIDINES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1985-03-20 EP claimed
US-4478833-A ANTICOAGULANTS DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-10-23 US claimed
EP-0055444-A2 Trisubstituted pyrimido(5,4-d)pyrimidines, their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1982-07-07 EP claimed
US-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY WHALEN ANNE 2011-09-15 US disclosed
EP-0055444-B1 TRISUBSTITUTED PYRIMIDO(5,4-D)PYRIMIDINES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1985-03-20 EP disclosed
US-4478833-A ANTICOAGULANTS DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-10-23 US disclosed
EP-0055444-A2 Trisubstituted pyrimido(5,4-d)pyrimidines, their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1982-07-07 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-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY PYGM, TNNC1, MYOF SLC29A1 3650/4885PDE4A 106/4885PDE4B 122/4885

“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.