SCHEMBL4379212

SCHEMBL4379212

COc1ccc2c(Nc3c(Cl)cccc3Cl)ccnc2c1OC1CCCC1

nearest known ligand 0.83

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.83
PDE4D Q08499 11/20 0.51
PDE4A P27815 6/20 0.51
PDE4C Q08493 6/20 0.51
HTR1A P08908 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL4365705 0.91 PDE4B (1.00) PDE4BPDE4DPDE4APDE4C
SCHEMBL4370781 0.87 PDE4B (0.75) PDE4BPDE4DPDE4APDE4C
SCHEMBL4370214 0.86 PDE4B (0.80) PDE4BPDE4DPDE4APDE4C
SCHEMBL4379192 0.85 PDE4B (0.60) PDE4BHTR1AADRA1DADRA1AADRA1B
SCHEMBL4363586 0.83 PDE4B (0.80) PDE4BPDE4DPDE4APDE4CHTR1A
SCHEMBL4369697 0.83 PDE4B (0.83) PDE4BPDE4DPDE4APDE4C
SCHEMBL4368288 0.82 PDE4B (0.78) PDE4BPDE4DPDE4APDE4C
SCHEMBL4368584 0.82 PDE4B (0.83) PDE4BPDE4DPDE4APDE4C
SCHEMBL4369695 0.82 PDE4B (0.67) PDE4BPDE4DPDE4APDE4C
SCHEMBL4361797 0.76 PDE4B (0.74) PDE4BPDE4DPDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291950-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 KALYPSYS, INC. (US) 2009-11-26 US disclosed
US-20090291950-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 KALYPSYS, INC. (US) 2009-11-26 US disclosed
US-20090291950-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 KALYPSYS, INC. (US) 2009-11-26 US disclosed
WO-2008006052-A2 BICYCLIC HETEROARYL INHIBITORS OF PDE4 GOVEK STEVEN P (US) 2008-01-10 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-20090291950-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C PDE4B 2/4885PDE4D 4/4885PDE4A 1/4885

“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.