SCHEMBL730996

SCHEMBL730996

COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)n(CC=O)c2c1OC1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 19/20 0.61
PDE4D Q08499 8/20 0.53
PDE4A P27815 7/20 0.53
PDE4C Q08493 7/20 0.53

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
SCHEMBL728699 0.88 PDE4B (0.61) PDE4BPDE4DPDE4APDE4C
SCHEMBL728573 0.87 PDE4B (0.60) PDE4BPDE4DPDE4APDE4C
SCHEMBL728515 0.87 PDE4B (0.68) PDE4BPDE4DPDE4APDE4C
SCHEMBL730847 0.84 PDE4B (0.59) PDE4BPDE4DPDE4APDE4C
SCHEMBL12081815 0.80 PDE4B (0.50) PDE4BPDE4DPDE4APDE4C
SCHEMBL12081752 0.78 PDE4B (0.49) PDE4BPDE4DPDE4APDE4C
SCHEMBL12081829 0.78 PDE4B (0.55) PDE4BPDE4DPDE4APDE4C
SCHEMBL730520 0.76 PDE4B (0.68) PDE4BPDE4DPDE4APDE4C
SCHEMBL3675103 0.76 PDE4B (1.00) PDE4BPDE4DPDE4APDE4C
SCHEMBL4361797 0.75 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9078887-B2 Bicyclic heteroaryl inhibitors of PDE4 KALYPSYS, INC. (US) 2015-07-14 US disclosed
US-20130178498-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 KALYPSYS, INC. (US) 2013-07-11 US disclosed
US-20130116279-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 KALYPSYS, INC. (US) 2013-05-09 US disclosed
US-20130045975-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 KALYPSYS, INC. (US) 2013-02-21 US disclosed
US-8258154-B2 Bicyclic heteroaryl inhibitors of PDE4 KALYPSYS INC. (US) 2012-09-04 US disclosed
US-8138205-B2 Heteroarylalkoxy-substituted quinolone inhibitors of PDE4 KALYPSYS, INC. (US) 2012-03-20 US disclosed
US-8080563-B2 Bicyclic heteroaryl inhibitors of PDE4 Kalypsys (US) 2011-12-20 US disclosed
US-20100081646-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 KALYPSYS, INC. (US) 2010-04-01 US disclosed
US-20100022586-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 KALYPSYS, INC. (US) 2010-01-28 US disclosed
US-20080027099-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 Govek, Steven (US) 2008-01-31 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 (6 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-20130178498-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C PDE4B 2/4885PDE4D 9/4885PDE4A 1/4885
US-20100022586-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C PDE4B 2/4885PDE4D 4/4885PDE4A 1/4885
US-20130045975-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C PDE4B 2/4885PDE4D 9/4885PDE4A 1/4885
US-20080027099-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C PDE4B 2/4885PDE4D 9/4885PDE4A 1/4885
US-20130116279-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C PDE4B 2/4885PDE4D 9/4885PDE4A 1/4885
US-20100081646-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C PDE4B 2/4885PDE4D 9/4885PDE4A 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.