SCHEMBL729215

SCHEMBL729215

COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)[nH]c2c1OCCCCN(C)C

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 19/20 0.70
CYP19A1 P11511 1/20 0.38
NQO2 P16083 1/20 0.38
PDE4A P27815 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36

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
SCHEMBL728225 0.99 PDE4B (0.70) PDE4BCYP19A1NQO2PDE4APDE4C
SCHEMBL729247 0.99 PDE4B (0.70) PDE4BCYP19A1NQO2PDE4APDE4C
SCHEMBL730833 0.97 PDE4B (0.67) PDE4BCYP19A1NQO2PDE4APDE4C
SCHEMBL729285 0.95 PDE4B (0.65) PDE4BCYP19A1NQO2
SCHEMBL731012 0.91 PDE4B (0.60) PDE4BCYP19A1NQO2PDE4APDE4C
SCHEMBL12053156 0.91 PDE4B (0.57) PDE4BCYP19A1NQO2
SCHEMBL728605 0.91 PDE4B (0.59) PDE4BCYP19A1NQO2PDE4APDE4C
SCHEMBL12053155 0.90 PDE4B (0.58) PDE4BCYP19A1NQO2
SCHEMBL728871 0.90 PDE4B (0.56) PDE4BCYP19A1NQO2
SCHEMBL728518 0.90 PDE4B (0.57) PDE4BCYP19A1NQO2PDE4APDE4C

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 35 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
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
EP-2037924-A2 BICYCLIC HETEROARYL INHIBITORS OF PDE4 Govek, Steven P. (US) 2009-03-25 EP 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
WO-2008006050-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 (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 2/4885CYP19A1 1277/4885NQO2 624/4885
US-20100022586-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C PDE4B 2/4885CYP19A1 1573/4885NQO2 432/4885
US-20130045975-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C PDE4B 2/4885CYP19A1 1277/4885NQO2 624/4885
US-20080027099-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C PDE4B 2/4885CYP19A1 1277/4885NQO2 624/4885
US-20130116279-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.