SCHEMBL12422261

SCHEMBL12422261

Cc1ccc2c(ccn2C(=O)OC(C)(C)C)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.41
HTR6 P50406 1/20 0.39
BUB1 O43683 1/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
BCHE P06276 1/20 0.35
PIK3CD O00329 2/20 0.34
ABL1 P00519 2/20 0.34
EGFR P00533 2/20 0.34
HCK P08631 2/20 0.34
SRC P12931 2/20 0.34
KDR P35968 2/20 0.34
PIK3CA P42336 2/20 0.34
PIK3CB P42338 2/20 0.34
MTOR P42345 2/20 0.34
PIK3CG P48736 2/20 0.34
EPHB4 P54760 2/20 0.34

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
SCHEMBL19645303 0.86 NOTUM (0.47) NOTUML3MBTL1HTR6BUB1HSP90AA1
SCHEMBL29631795 0.82 L3MBTL1 (0.44) NOTUML3MBTL1HTR6BUB1HSP90AA1
SCHEMBL18989920 0.82 NOTUM (0.43) NOTUML3MBTL1HTR6BUB1HSP90AA1
SCHEMBL29631950 0.82 NOTUM (0.43) NOTUML3MBTL1HTR6BUB1HSP90AA1
SCHEMBL18990682 0.82 L3MBTL1 (0.44) NOTUML3MBTL1HTR6BUB1HSP90AA1
SCHEMBL14722920 0.81 NOTUM (0.43) NOTUML3MBTL1HTR6BUB1HSP90AA1
SCHEMBL18992506 0.81 NOTUM (0.43) NOTUML3MBTL1HTR6BUB1HSP90AA1
SCHEMBL14722904 0.81 NOTUM (0.43) NOTUML3MBTL1HTR6BUB1HSP90AA1
SCHEMBL15208983 0.80 NOTUM (0.42) NOTUML3MBTL1HTR6BUB1HSP90AA1
SCHEMBL424580 0.79 L3MBTL1 (0.48) NOTUML3MBTL1HTR6BUB1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828378-B2 Kinase inhibitors and methods of use INTELLIKINE LLC (US) 2017-11-28 US disclosed
US-20160024099-A1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2016-01-28 US disclosed
US-9096611-B2 Kinase inhibitors and methods of use INTELLIKINE LLC (US) 2015-08-04 US disclosed
EP-2748159-A1 SERINE/THREONINE PAK1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-07-02 EP disclosed
US-8637537-B2 Serine/threonine kinase inhibitors GENENTECH, INC. (US) 2014-01-28 US disclosed
US-20130225620-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2013-08-29 US disclosed
WO-2013026914-A1 SERINE/THREONINE PAK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-02-28 WO disclosed
US-20110172228-A1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2011-07-14 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 (3 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 NOTUM 2350/4885L3MBTL1 4027/4885HTR6 3051/4885
US-20130225620-A1 SERINE/THREONINE KINASE INHIBITORS PAK1, AKT1, RB1 NOTUM 4035/4885L3MBTL1 852/4885HTR6 4355/4885
US-20160024099-A1 KINASE INHIBITORS AND METHODS OF USE PIK3CA, MTOR, PDPK1 NOTUM 2350/4885L3MBTL1 4027/4885HTR6 3051/4885

“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.