SCHEMBL3672986

SCHEMBL3672986

COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCOCCBr

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 19/20 0.75
PDE4A P27815 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL3673455 0.93 PDE4B (0.80) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL3670582 0.92 PDE4B (0.80) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL3681019 0.91 PDE4B (0.81) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL3681574 0.90 PDE4B (0.88) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL3675678 0.89 PDE4B (0.87) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL3673103 0.87 PDE4B (0.82) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL3678716 0.86 PDE4B (0.82) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL3678790 0.85 PDE4B (0.82) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL3684283 0.85 PDE4B (1.00) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL3676736 0.85 PDE4B (0.81) PDE4BPDE4APDE4CPDE4DKDM4E

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 7 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

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 2/4885PDE4A 1/4885PDE4C 3/4885

“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.