SCHEMBL2459852

SCHEMBL2459852

CSc1ncnc2c(N3CCCC3)nc(N3CCNCC3)nc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 4/20 0.47
▸ PDE4B Q07343 4/20 0.47
▸ PDE4C Q08493 4/20 0.47
▸ PDE4D Q08499 4/20 0.47
▸ HRH1 P35367 1/20 0.46
▸ USP2 O75604 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ CASP1 P29466 1/20 0.44
▸ CASP4 P49662 1/20 0.44
▸ CASP5 P51878 1/20 0.44
▸ KHK P50053 10/20 0.43
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ ABCC1 P33527 1/20 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
SCHEMBL10502535 0.99 USP2 (0.48) PDE4APDE4BPDE4CPDE4DHRH1
SCHEMBL10502095 0.99 USP2 (0.48) PDE4APDE4BPDE4CPDE4DHRH1
SCHEMBL10502331 0.99 USP2 (0.48) PDE4APDE4BPDE4CPDE4DHRH1
SCHEMBL10502180 0.99 USP2 (0.48) PDE4APDE4BPDE4CPDE4DHRH1
SCHEMBL10775159 0.97 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DHRH1
SCHEMBL10503313 0.95 KHK (0.45) PDE4APDE4BPDE4CPDE4DHRH1
SCHEMBL10661287 0.89 KHK (0.41) PDE4APDE4BPDE4CPDE4DHRH1
SCHEMBL10660874 0.89 TSHR (0.42) PDE4APDE4BPDE4CPDE4DTDP1
SCHEMBL10663555 0.87 KHK (0.40) PDE4APDE4BPDE4CPDE4DHRH1
SCHEMBL10501756 0.86 USP2 (0.44) PDE4APDE4BPDE4CPDE4DHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0167817-B1 8-Alkylthio-2-piperazino-pyrimido[5,4-d]pyrimidines, their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1989-09-20 — — EP claimed
US-4714698-A ANTITUMOR, ANTICOAGULANT DR. KARL THOMAE GMBH (DE) 1987-12-22 — — US claimed
EP-0167817-A1 8-Alkylthio-2-piperazino-pyrimido[5,4-d]pyrimidines, their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1986-01-15 — — EP claimed
WO-2011146819-A2 METHODS AND COMPOSITIONS FOR TREATMENT NF-κB-MEDIATED AND α7 INTEGRIN-SUPPRESSED DISEASES DMD THERAPIES, LLC (US) 2011-11-24 — — WO disclosed
US-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY WHALEN ANNE 2011-09-15 — — US disclosed
EP-0167817-B1 8-Alkylthio-2-piperazino-pyrimido[5,4-d]pyrimidines, their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1989-09-20 — — EP disclosed
US-4714698-A ANTITUMOR, ANTICOAGULANT DR. KARL THOMAE GMBH (DE) 1987-12-22 — — US disclosed
EP-0167817-A1 8-Alkylthio-2-piperazino-pyrimido[5,4-d]pyrimidines, their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1986-01-15 — — 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 PDE4A 106/4885PDE4B 122/4885PDE4C 95/4885

“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.

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