SCHEMBL3678587

SCHEMBL3678587

COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCC(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 1.00
ALDH1A1 P00352 1/20 0.48
MIF P14174 1/20 0.48
HPGD P15428 1/20 0.48
PDE4D Q08499 4/20 0.47
PDE4A P27815 3/20 0.43
PDE4C Q08493 3/20 0.43

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
SCHEMBL3678464 0.93 PDE4B (0.86) PDE4BPDE4DPDE4APDE4C
SCHEMBL3678446 0.92 PDE4B (0.84) PDE4BALDH1A1HPGDPDE4DPDE4A
SCHEMBL3677496 0.91 PDE4B (0.83) PDE4BPDE4DPDE4APDE4C
SCHEMBL3674944 0.90 PDE4B (1.00) PDE4BPDE4DPDE4APDE4C
SCHEMBL3687137 0.89 PDE4B (0.80) PDE4BALDH1A1PDE4DPDE4APDE4C
SCHEMBL3676656 0.89 PDE4B (1.00) PDE4BPDE4DPDE4APDE4C
SCHEMBL3681110 0.88 PDE4B (1.00) PDE4BPDE4DPDE4APDE4C
SCHEMBL3681315 0.88 PDE4B (1.00) PDE4BPDE4DPDE4APDE4C
SCHEMBL3675583 0.88 PDE4B (1.00) PDE4BPDE4DPDE4APDE4C
SCHEMBL3674651 0.88 PDE4B (1.00) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745646-B2 Bicyclic heteroaryl inhibitors of PDE4 KALYPSYS, INC. (US) 2010-06-29 US disclosed
US-7745646-B2 Bicyclic heteroaryl inhibitors of PDE4 KALYPSYS, INC. (US) 2010-06-29 US disclosed
US-7745646-B2 Bicyclic heteroaryl inhibitors of PDE4 KALYPSYS, INC. (US) 2010-06-29 US disclosed
US-20080027112-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 Govek, Steven (US) 2008-01-31 US disclosed
US-20080027112-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 Govek, Steven (US) 2008-01-31 US disclosed
US-20080027112-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 Govek, Steven (US) 2008-01-31 US disclosed
WO-2008006051-A2 BICYCLIC HETEROARYL INHIBITORS OF PDE4 GOVEK STEVEN P (US) 2008-01-10 WO disclosed
WO-2008006051-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-20080027112-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C PDE4B 2/4885ALDH1A1 890/4885MIF 159/4885

“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.