SCHEMBL6476199

SCHEMBL6476199

COc1ccc(CNc2cc(Cl)nc(C)c2N)cc1OC1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.45
TPH1 P17752 1/20 0.45
PDE4A P27815 9/20 0.42
PDE4B Q07343 8/20 0.42
PDE4D Q08499 7/20 0.42
PDE4C Q08493 6/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
UTS2R Q9UKP6 1/20 0.41
TSHR P16473 1/20 0.40
CSNK2A1 P68400 1/20 0.40

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
SCHEMBL6483494 0.84 RECQL (0.45) RECQLTPH1PDE4APDE4BPDE4D
SCHEMBL6775035 0.80 TPH1 (0.47) RECQLTPH1PDE4APDE4BPDE4D
SCHEMBL6774108 0.80 RECQL (0.45) RECQLTPH1PDE4APDE4BPDE4D
SCHEMBL69444 0.78 PDE4D (0.60) RECQLTPH1PDE4APDE4BPDE4D
SCHEMBL307931 0.77 TPH1 (0.49) RECQLTPH1PDE4APDE4BPDE4D
SCHEMBL6771601 0.76 PDE4A (0.44) RECQLPDE4APDE4BPDE4DPDE4C
SCHEMBL1157608 0.76 POLB (0.50) RECQLPDE4APDE4BPDE4DPDE4C
SCHEMBL309631 0.75 TPH1 (0.51) RECQLTPH1PDE4APDE4BPDE4D
SCHEMBL8485825 0.73 RECQL (0.48) RECQLTPH1PDE4APDE4BPDE4D
SCHEMBL13317191 0.73 RECQL (0.61) RECQLPDE4APDE4BPDE4DPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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 RECQL 672/4885TPH1 2215/4885PDE4A 4/4885

“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.