SCHEMBL6482019

SCHEMBL6482019

COc1ccc(Cn2c(C)nc3c(C)nc(C(CC=O)c4ccncc4)nc32)cc1OC1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 19/20 0.47
PDE4D Q08499 2/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44

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
SCHEMBL6474558 0.90 PDE4A (0.45) PDE4APDE4DPDE4BPDE4C
SCHEMBL6825700 0.89 PDE4A (0.45) PDE4APDE4DPDE4BPDE4C
SCHEMBL6769137 0.80 PDE4A (0.46) PDE4APDE4DPDE4BPDE4C
SCHEMBL6772740 0.80 PDE4A (0.42) PDE4APDE4DPDE4BPDE4C
SCHEMBL6772615 0.78 TLR7 (0.43) PDE4APDE4DPDE4BPDE4C
SCHEMBL6773704 0.78 PDE4A (0.41) PDE4APDE4DPDE4BPDE4C
SCHEMBL6481387 0.78 PDE4B (0.43) PDE4APDE4DPDE4BPDE4C
SCHEMBL6772893 0.77 PDE4A (0.42) PDE4APDE4DPDE4BPDE4C
SCHEMBL6775579 0.77 PDE4A (0.42) PDE4APDE4DPDE4BPDE4C
SCHEMBL6474917 0.77 PDE4A (0.42) PDE4APDE4DPDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1043324-B1 PURINE DERIVATIVES AND MEDICINE CONTAINING THE SAME AS THE ACTIVE INGREDIENT MITSUBISHI CHEM CORP (JP) 2004-06-16 EP claimed
US-6919455-B2 Purine derivative dihydrate, drugs containing the same as the active ingredient and intermediate in the production thereof MITSUBISHI CHEMICAL CORPORATION (JP) 2005-07-19 US disclosed
US-20040077665-A1 Purine derivative dihydrate, drugs containing the same as the active ingredient and intermediate in the production thereof MITSUBISHI CHEMICAL CORPORATION (JP) 2004-04-22 US disclosed
US-6660745-B1 Phosphodiesterase inhibitors; treatment of asthma, chronic obstructive pulmonary disease, inflammatory disorders MITSUBISHI CHEMICAL CORPORATION (JP) 2003-12-09 US disclosed
EP-1178046-B1 PURINE DERIVATIVE DIHYDRATE, DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT AND INTERMEDIATE IN THE PRODUCTION THEREOF MITSUBISHI CHEM CORP (JP) 2003-11-19 EP disclosed
EP-1178046-B1 PURINE DERIVATIVE DIHYDRATE, DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT AND INTERMEDIATE IN THE PRODUCTION THEREOF MITSUBISHI CHEM CORP (JP) 2003-11-19 EP disclosed
EP-1178046-A4 PURINE DERIVATIVE DIHYDRATE, DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT AND INTERMEDIATE IN THE PRODUCTION THEREOF MITSUBISHI CHEM CORP (JP) 2002-06-05 EP disclosed
EP-1178046-A1 PURINE DERIVATIVE DIHYDRATE, DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT AND INTERMEDIATE IN THE PRODUCTION THEREOF MITSUBISHI CHEMICAL CORPORATION (JP) 2002-02-06 EP disclosed
WO-2000068231-A1 PURINE DERIVATIVE DIHYDRATE, DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT AND INTERMEDIATE IN THE PRODUCTION THEREOF MITSUBISHI CHEMICAL CORPORATION (JP) 2000-11-16 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-20040077665-A1 Purine derivative dihydrate, drugs containing the same as the active ingredient and intermediate in the production thereof DPYD, NUDT1, PNP PDE4A 4/4885PDE4D 21/4885PDE4B 6/4885

“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.