SCHEMBL12422263

SCHEMBL12422263

Cc1ccc2c(cc(B(O)O)n2C(=O)OC(C)(C)C)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 3/20 0.38
GABRB3 P28472 3/20 0.38
GABRA5 P31644 3/20 0.38
GABRA1 P14867 2/20 0.36
GABRA2 P47869 1/20 0.36
GABRA6 Q16445 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NR1H2 P55055 5/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
CACNA1B Q00975 1/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
GSK3B P49841 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
CA12 O43570 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
SCHEMBL19645304 0.88 GABRG2 (0.38) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL29954668 0.82 NR1H2 (0.40) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL2878161 0.82 NR1H2 (0.40) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL1550722 0.82 GABRG2 (0.37) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL599783 0.81 NR1H2 (0.40) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL29955454 0.77 NR1H2 (0.39) GABRG2GABRB3GABRA5GABRA1MEN1
SCHEMBL2930214 0.77 NR1H2 (0.39) GABRG2GABRB3GABRA5GABRA1MEN1
SCHEMBL2873485 0.76 NR1H2 (0.40) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL29957250 0.75 NR1H2 (0.44) GABRG2GABRB3GABRA5NR1H2CA12
SCHEMBL593975 0.75 NR1H2 (0.44) GABRG2GABRB3GABRA5NR1H2CA12

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 GABRG2 2759/4885GABRB3 2754/4885GABRA5 3374/4885
US-20160024099-A1 KINASE INHIBITORS AND METHODS OF USE PIK3CA, MTOR, PDPK1 GABRG2 2759/4885GABRB3 2754/4885GABRA5 3374/4885

“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.