SCHEMBL2409647

SCHEMBL2409647

COC(=O)c1nccn(Cc2ccc(F)c(F)c2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 13/20 0.46
HSP90AA1 P07900 3/20 0.44
HSP90B1 P14625 3/20 0.44
KDM5A P29375 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
P2RX7 Q99572 1/20 0.41

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
SCHEMBL2408377 0.85 PDPK1 (0.42) PDPK1
SCHEMBL2285307 0.81 HSP90AA1 (0.52) HSP90AA1HSP90B1
SCHEMBL13306800 0.78 MAPT (0.56) PDPK1
SCHEMBL2621642 0.74 PDPK1 (0.57) PDPK1
SCHEMBL6697238 0.74 PDPK1 (0.43) PDPK1KDM5AKDM5BP2RX7
SCHEMBL5051459 0.73 RAB9A (0.50) KDM5AKDM5B
SCHEMBL29506741 0.73 RAB9A (0.50) KDM5AKDM5B
SCHEMBL13534285 0.72 PDPK1 (0.47) PDPK1KDM5AKDM5BP2RX7
SCHEMBL30035949 0.72 CACNA1G (0.53) KDM5AKDM5B
SCHEMBL18366428 0.72 CACNA1G (0.53) KDM5AKDM5B

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8552019-B2 Inhibitors of phosphoinositide dependent kinase 1 (PDK1) MERCK SHARP & DOHME CORP. (US) 2013-10-08 US disclosed
US-8552019-B2 Inhibitors of phosphoinositide dependent kinase 1 (PDK1) MERCK SHARP & DOHME CORP. (US) 2013-10-08 US disclosed
US-8552019-B2 Inhibitors of phosphoinositide dependent kinase 1 (PDK1) MERCK SHARP & DOHME CORP. (US) 2013-10-08 US disclosed
US-20110313156-A1 HETEROCYCLYL CARBONIC ACID AMIDES AS ANTIPROLIFERATIVE AGENTS, PDKL INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
US-20110313156-A1 HETEROCYCLYL CARBONIC ACID AMIDES AS ANTIPROLIFERATIVE AGENTS, PDKL INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
EP-2373636-A1 INHIBITORS OF PHOSPHOINOSITIDE DEPENDENT KINASE 1 (PDK1) Merck Sharp & Dohme Corp. (US) 2011-10-12 EP disclosed
US-20110230500-A1 Inhibitors of Phosphoinositide Dependent Kinase 1 (PDK1) MERCK SHARP & DOHME CORP. 2011-09-22 US disclosed
US-20110230500-A1 Inhibitors of Phosphoinositide Dependent Kinase 1 (PDK1) MERCK SHARP & DOHME CORP. 2011-09-22 US disclosed
US-20110230500-A1 Inhibitors of Phosphoinositide Dependent Kinase 1 (PDK1) MERCK SHARP & DOHME CORP. 2011-09-22 US disclosed
WO-2010065384-A1 INHIBITORS OF PHOSPHOINOSITIDE DEPENDENT KINASE 1 (PDK1) MERCK SHARP & DOHME CORP. (US) 2010-06-10 WO disclosed
WO-2010065384-A1 INHIBITORS OF PHOSPHOINOSITIDE DEPENDENT KINASE 1 (PDK1) MERCK SHARP & DOHME CORP. (US) 2010-06-10 WO disclosed
WO-2010007114-A2 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-21 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 (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-20110230500-A1 Inhibitors of Phosphoinositide Dependent Kinase 1 (PDK1) PDK1, PDPK1, PDK3 PDPK1 2/4885HSP90AA1 1519/4885HSP90B1 1332/4885
US-20110313156-A1 HETEROCYCLYL CARBONIC ACID AMIDES AS ANTIPROLIFERATIVE AGENTS, PDKL INHIBITORS PDK2, PDK4, CCNH PDPK1 4/4885HSP90AA1 1832/4885HSP90B1 2659/4885

“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.