SCHEMBL728526

SCHEMBL728526

COc1ccc2c(Nc3c(C)cncc3C)cc(=O)[nH]c2c1OC1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.54
PDE4D Q08499 7/20 0.46
PDE4A P27815 7/20 0.46
PDE4C Q08493 6/20 0.46
NQO2 P16083 4/20 0.46
CYP19A1 P11511 3/20 0.46
CD38 P28907 2/20 0.38

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
SCHEMBL12053148 0.90 NQO2 (0.47) PDE4BPDE4DPDE4APDE4CNQO2
SCHEMBL730520 0.90 PDE4B (0.68) PDE4BPDE4DPDE4APDE4C
SCHEMBL730861 0.84 CYP19A1 (0.45) PDE4BPDE4DNQO2CYP19A1
SCHEMBL12053147 0.83 PDE4B (0.55) PDE4BPDE4DPDE4APDE4CNQO2
SCHEMBL3676884 0.81 PDE4B (0.81) PDE4BPDE4DPDE4APDE4C
SCHEMBL730828 0.80 NQO2 (0.49) PDE4BNQO2CYP19A1
SCHEMBL729405 0.79 NQO2 (0.44) PDE4BPDE4DPDE4APDE4CNQO2
SCHEMBL730897 0.79 NQO2 (0.46) PDE4BNQO2CYP19A1
SCHEMBL723600 0.78 PDE4B (0.47) PDE4BNQO2CYP19A1
SCHEMBL730965 0.78 CYP19A1 (0.45) PDE4BNQO2CYP19A1

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 31 patents — showing the first 20. 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-9078887-B2 Bicyclic heteroaryl inhibitors of PDE4 KALYPSYS, INC. (US) 2015-07-14 US disclosed
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-20130178498-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 KALYPSYS, INC. (US) 2013-07-11 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-20130116279-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 KALYPSYS, INC. (US) 2013-05-09 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
WO-2011093924-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 KALYPSYS, INC (US) 2011-08-04 WO disclosed
US-20100081646-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 KALYPSYS, INC. (US) 2010-04-01 US disclosed
US-20100081646-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 KALYPSYS, INC. (US) 2010-04-01 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-20100022586-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 KALYPSYS, INC. (US) 2010-01-28 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
US-20080027099-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 Govek, Steven (US) 2008-01-31 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.