SCHEMBL12640367

SCHEMBL12640367

COc1ncc(F)cc1CN(C(=O)OC(C)(C)C)c1ncc(C=O)cc1C

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
SSTR4 P31391 1/20 0.30
TSPO P30536 1/20 0.30
PIK3CA P42336 1/20 0.30

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
SCHEMBL12674816 0.91 ALDH1A1 (0.33) HDAC1HDAC8HDAC6HTR2AHTR2C
SCHEMBL12675114 0.88 HDAC1 (0.32) HDAC1HDAC8HDAC6HTR2AHTR2C
SCHEMBL12640364 0.86 SLC13A5 (0.37) HTR2AHTR2CPOLB
SCHEMBL1881892 0.86 ALDH1A1 (0.33) HDAC1HDAC8HDAC6HTR2AHTR2C
SCHEMBL12640369 0.85 PIK3CA (0.35) PIK3CA
SCHEMBL1884006 0.83 ALDH1A1 (0.35) HDAC1HDAC8HDAC6HTR2AHTR2C
SCHEMBL12640371 0.81 ADORA2B (0.33) HDAC1HDAC8HDAC6
SCHEMBL12674768 0.80 FFAR4 (0.37) HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL12675295 0.79 HDAC1 (0.33) HDAC1HDAC8HDAC6HTR2AHTR2C
SCHEMBL12640381 0.79 MAPT (0.33) HDAC1HDAC8HDAC6ALDH1A1SSTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096593-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2015-08-04 US disclosed
US-9096593-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2015-08-04 US disclosed
US-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2014-02-13 US disclosed
US-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2014-02-13 US disclosed
WO-2011057022-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-05-12 WO disclosed
US-20110112127-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2011-05-12 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-20110112127-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, FLT3, BRAF HDAC1 2665/4885HDAC8 1851/4885HDAC6 2506/4885
US-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, FLT3, BRAF HDAC1 2665/4885HDAC8 1851/4885HDAC6 2506/4885

“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.