SCHEMBL12422252

SCHEMBL12422252

Cc1cc(Cl)c2c(ccn2C(=O)OC(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
ACLY P53396 1/20 0.39
BUB1 O43683 1/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
BCHE P06276 1/20 0.35
PIK3CA P42336 3/20 0.34
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
PIK3CB P42338 2/20 0.34
MTOR P42345 2/20 0.34
PIK3CG P48736 2/20 0.34
EPHB4 P54760 2/20 0.34
PRKDC P78527 2/20 0.34
PI4KB Q9UBF8 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
SCHEMBL30310705 0.87 ACLY (0.43) HSP90AA1HSP90AB1ACLYBUB1MEN1
SCHEMBL24021144 0.87 ACLY (0.43) HSP90AA1HSP90AB1ACLYBUB1MEN1
SCHEMBL19645252 0.87 HSP90AA1 (0.42) HSP90AA1HSP90AB1ACLYBUB1MEN1
SCHEMBL31195162 0.85 ACLY (0.40) HSP90AA1HSP90AB1ACLYBUB1MEN1
SCHEMBL12422250 0.85 HSP90AA1 (0.40) HSP90AA1HSP90AB1ACLYBUB1MEN1
SCHEMBL31549567 0.82 HSP90AA1 (0.42) HSP90AA1HSP90AB1ACLYBUB1MEN1
SCHEMBL2877952 0.81 ACLY (0.47) HSP90AA1HSP90AB1ACLYBUB1MEN1
SCHEMBL19645254 0.80 HSP90AA1 (0.39) HSP90AA1HSP90AB1ACLYBUB1MEN1
SCHEMBL12585023 0.80 HSP90AA1 (0.40) HSP90AA1HSP90AB1ACLYBUB1MEN1
SCHEMBL17067788 0.79 ACLY (0.48) HSP90AA1HSP90AB1ACLYBUB1MEN1

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 4 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
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 (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 HSP90AA1 774/4885HSP90AB1 647/4885ACLY 2238/4885
US-20160024099-A1 KINASE INHIBITORS AND METHODS OF USE PIK3CA, MTOR, PDPK1 HSP90AA1 774/4885HSP90AB1 647/4885ACLY 2238/4885

“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.