SCHEMBL1312893

SCHEMBL1312893

COc1cccc(Nc2c(C(N)=O)cnc3c(C)cc(S(=O)(=O)c4cccc(C(=O)Nc5ccc(-c6ccc(CO)cc6)cc5)c4)cc23)c1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.69
ADRB2 P07550 2/20 0.57
PDE4A P27815 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 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
SCHEMBL1310671 0.93 PDE4B (0.65) PDE4BADRB2PDE4APDE4CPDE4D
SCHEMBL1326789 0.91 PDE4B (0.70) PDE4BADRB2PDE4APDE4CPDE4D
SCHEMBL1310665 0.91 PDE4B (0.64) PDE4BADRB2PDE4APDE4CPDE4D
SCHEMBL1312430 0.91 PDE4B (0.76) PDE4BADRB2PDE4APDE4CPDE4D
SCHEMBL12119269 0.91 PDE4B (0.67) PDE4BADRB2PDE4APDE4CPDE4D
SCHEMBL1310938 0.91 PDE4B (0.69) PDE4BADRB2PDE4APDE4CPDE4D
SCHEMBL1310375 0.90 PDE4B (0.63) PDE4BADRB2PDE4APDE4CPDE4D
SCHEMBL1312065 0.90 PDE4B (0.82) PDE4BPDE4APDE4CPDE4D
SCHEMBL1312496 0.90 PDE4B (0.66) PDE4BADRB2PDE4APDE4CPDE4D
SCHEMBL1310605 0.89 PDE4B (0.69) PDE4BADRB2PDE4APDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394829-B2 Bi-functional quinoline analogs GILEAD SCIENCES, INC. (US) 2013-03-12 US disclosed
US-8394829-B2 Bi-functional quinoline analogs GILEAD SCIENCES, INC. (US) 2013-03-12 US disclosed
US-20130012504-A1 BI-FUNCTIONAL QUINOLINE ANALOGS GILEAD SCIENCES, INC (US) 2013-01-10 US disclosed
WO-2011143105-A1 BIFUNCTIONAL QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. (US) 2011-11-17 WO disclosed
US-20110275622-A1 BI-FUNCTIONAL QUINOLINE ANALOGS GILEAD SCIENCES, INC. (US) 2011-11-10 US disclosed
US-20110275622-A1 BI-FUNCTIONAL QUINOLINE ANALOGS GILEAD SCIENCES, INC. (US) 2011-11-10 US 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 (2 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-20110275622-A1 BI-FUNCTIONAL QUINOLINE ANALOGS BDKRB2, BDKRB1, MRGPRX2 PDE4B 434/4885ADRB2 16/4885PDE4A 609/4885
US-20130012504-A1 BI-FUNCTIONAL QUINOLINE ANALOGS BDKRB2, BDKRB1, HRH2 PDE4B 480/4885ADRB2 13/4885PDE4A 701/4885

“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.