SCHEMBL2045656

SCHEMBL2045656

CCCC(C(=O)OC)c1c(C)nc2ccnn2c1-c1ccc(C)cc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 5/20 0.48
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
KDR P35968 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
SCHEMBL2041498 0.92 PSIP1 (0.46) PSIP1PDE4APDE4BPDE4CPDE4D
SCHEMBL2045772 0.88 PSIP1 (0.61) PSIP1
SCHEMBL458548 0.84 KDR (0.37) PSIP1PDE4APDE4BPDE4CPDE4D
SCHEMBL2041516 0.84 PDE4A (0.36) PSIP1PDE4APDE4BPDE4CPDE4D
SCHEMBL2047877 0.82 PSIP1 (0.50) PSIP1
SCHEMBL2051121 0.82 PSIP1 (0.48) PSIP1
SCHEMBL2047259 0.81 PSIP1 (0.54) PSIP1
SCHEMBL2041961 0.80 PSIP1 (0.57) PSIP1
SCHEMBL459408 0.80 PSIP1 (0.38) PSIP1PDE4APDE4BPDE4CPDE4D
SCHEMBL2040149 0.79 PSIP1 (0.45) PSIP1

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
EP-2516008-B1 NOVEL ANTIVIRAL COMPOUNDS UNIV LEUVEN KATH (BE) 2014-04-16 EP claimed
EP-2516008-B1 NOVEL ANTIVIRAL COMPOUNDS UNIV LEUVEN KATH (BE) 2014-04-16 EP disclosed
US-20120316161-A1 NOVEL ANTIVIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2012-12-13 US disclosed
EP-2516008-A1 NOVEL ANTIVIRAL COMPOUNDS Katholieke Universiteit Leuven (BE) 2012-10-31 EP disclosed
WO-2011076765-A1 NOVEL ANTIVIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2011-06-30 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-20120316161-A1 NOVEL ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PSIP1 1892/4885PDE4A 624/4885PDE4B 502/4885

“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.