SCHEMBL728655

SCHEMBL728655

COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)[nH]c2c1OCC(C)C

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 0.50
CYP19A1 P11511 1/20 0.43
NQO2 P16083 1/20 0.43
XDH P47989 1/20 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
SCHEMBL730828 0.89 NQO2 (0.49) PDE4BCYP19A1NQO2XDH
SCHEMBL726178 0.86 PDE4B (0.54) PDE4BCYP19A1NQO2
SCHEMBL728518 0.86 PDE4B (0.57) PDE4BCYP19A1NQO2
SCHEMBL730890 0.85 PDE4B (0.56) PDE4BCYP19A1NQO2
SCHEMBL730484 0.85 PDE4B (0.55) PDE4BCYP19A1NQO2
SCHEMBL729330 0.85 PDE4B (0.57) PDE4B
SCHEMBL729199 0.85 PDE4B (0.51) PDE4B
SCHEMBL730986 0.84 PDE4B (0.57) PDE4BCYP19A1NQO2
SCHEMBL730863 0.84 PDE4B (0.56) PDE4BCYP19A1NQO2
SCHEMBL728914 0.84 PDE4B (0.57) PDE4BCYP19A1NQO2

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
EP-2467376-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 Kalypsys, Inc. (US) 2012-06-27 EP claimed
WO-2011093924-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 KALYPSYS, INC (US) 2011-08-04 WO claimed
US-20130045975-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 KALYPSYS, INC. (US) 2013-02-21 US disclosed
EP-2467376-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 Kalypsys, Inc. (US) 2012-06-27 EP disclosed
US-8138205-B2 Heteroarylalkoxy-substituted quinolone inhibitors of PDE4 KALYPSYS, INC. (US) 2012-03-20 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20130045975-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C PDE4B 2/4885CYP19A1 1277/4885NQO2 624/4885
US-20100081646-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C PDE4B 2/4885CYP19A1 1277/4885NQO2 624/4885

“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.