SCHEMBL12422266

SCHEMBL12422266

COc1ccc(Cl)c2ccn(C(=O)OC(C)(C)C)c12

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 1/20 0.37
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
NOTUM Q6P988 2/20 0.35
SUV39H2 Q9H5I1 6/20 0.35
PDE4B Q07343 5/20 0.35
PDE4A P27815 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
BCHE P06276 1/20 0.34
STS P08842 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL16337908 0.84 BUB1 (0.37) BUB1PDE4BPDE4APDE4CPDE4D
SCHEMBL17479738 0.82 BUB1 (0.38) BUB1HSP90AA1HSP90AB1NOTUMBCHE
SCHEMBL30109233 0.80 SUV39H2 (0.37) BUB1HSP90AA1HSP90AB1SUV39H2PDE4B
SCHEMBL13732899 0.78 BUB1 (0.37) BUB1PDE4BPDE4APDE4CPDE4D
SCHEMBL24835169 0.78 SUV39H2 (0.37) BUB1HSP90AA1HSP90AB1SUV39H2PDE4B
SCHEMBL24835761 0.78 HSP90AA1 (0.35) BUB1HSP90AA1HSP90AB1SUV39H2PDE4B
SCHEMBL13733494 0.77 BUB1 (0.36) BUB1PDE4BPDE4APDE4CPDE4D
SCHEMBL30557232 0.77 BUB1 (0.38) BUB1HSP90AA1HSP90AB1NOTUMBCHE
SCHEMBL23292085 0.77 BUB1 (0.38) BUB1HSP90AA1HSP90AB1NOTUMBCHE
SCHEMBL16336927 0.76 BUB1 (0.37) BUB1PDE4BPDE4APDE4CPDE4D

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
EP-3009436-B1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC (US) 2019-06-05 EP disclosed
US-9828378-B2 Kinase inhibitors and methods of use INTELLIKINE LLC (US) 2017-11-28 US disclosed
US-9828378-B2 Kinase inhibitors and methods of use INTELLIKINE LLC (US) 2017-11-28 US disclosed
EP-3009436-A1 KINASE INHIBITORS AND METHODS OF USE Intellikine, LLC (US) 2016-04-20 EP disclosed
US-20160024099-A1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2016-01-28 US disclosed
US-20160024099-A1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2016-01-28 US disclosed
EP-2313414-B1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC (US) 2015-11-04 EP disclosed
US-9096611-B2 Kinase inhibitors and methods of use INTELLIKINE LLC (US) 2015-08-04 US disclosed
US-9096611-B2 Kinase inhibitors and methods of use INTELLIKINE LLC (US) 2015-08-04 US disclosed
US-20110172228-A1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2011-07-14 US disclosed
US-20110172228-A1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2011-07-14 US disclosed
WO-2010006086-A2 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE, INC. (US) 2010-01-14 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-20110172228-A1 KINASE INHIBITORS AND METHODS OF USE PIK3CA, MTOR, PDPK1 BUB1 481/4885HSP90AA1 774/4885HSP90AB1 647/4885
US-20160024099-A1 KINASE INHIBITORS AND METHODS OF USE PIK3CA, MTOR, PDPK1 BUB1 481/4885HSP90AA1 774/4885HSP90AB1 647/4885

“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.