SCHEMBL1310409

SCHEMBL1310409

COc1cccc(Nc2c(C(N)=O)cnc3c(C)cc(S(=O)(=O)c4cccc(Br)c4)cc23)c1

nearest known ligand 0.84

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 19/20 0.84
EGFR P00533 1/20 0.53
ERBB2 P04626 1/20 0.53
PDE4A P27815 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
ADRB2 P07550 1/20 0.49

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
SCHEMBL1310405 0.92 PDE4B (0.89) PDE4BPDE4APDE4CPDE4D
SCHEMBL1275367 0.91 PDE4B (1.00) PDE4BPDE4APDE4CPDE4D
Hydrochloric Acid SCHEMBL2480682 0.91 PDE4B (0.98) PDE4BPDE4APDE4CPDE4D
SCHEMBL1276199 0.90 PDE4B (1.00) PDE4BPDE4APDE4CPDE4D
SCHEMBL1276415 0.89 PDE4B (0.83) PDE4BPDE4APDE4CPDE4DADRB2
SCHEMBL1310235 0.89 PDE4B (0.86) PDE4BPDE4APDE4CPDE4DADRB2
SCHEMBL1275329 0.89 PDE4B (0.83) PDE4BPDE4APDE4CPDE4DADRB2
SCHEMBL2475832 0.89 PDE4B (0.85) PDE4B
SCHEMBL2478883 0.89 PDE4B (0.92) PDE4BPDE4APDE4CPDE4D
SCHEMBL1311770 0.89 PDE4B (0.81) PDE4BPDE4APDE4CPDE4DADRB2

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-2569285-A1 BIFUNCTIONAL QUINOLINE DERIVATIVES Gilead Sciences, Inc. (US) 2013-03-20 EP disclosed
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
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
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 434/4885EGFR 2950/4885ERBB2 2079/4885
US-20130012504-A1 BI-FUNCTIONAL QUINOLINE ANALOGS BDKRB2, BDKRB1, HRH2 PDE4B 480/4885EGFR 3132/4885ERBB2 1678/4885

“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.