SCHEMBL12640381

SCHEMBL12640381

Cc1cc(C=O)cnc1N(Cc1cnccc1C(F)(F)F)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
CD38 P28907 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CACNA1G O43497 1/20 0.32
CACNA1B Q00975 1/20 0.32
CACNA1C Q13936 1/20 0.32
PRKCQ Q04759 3/20 0.32
PRKCD Q05655 3/20 0.32
MAPK1 P28482 1/20 0.32
SGMS2 Q8NHU3 1/20 0.32
ALDH1A1 P00352 1/20 0.32
F2 P00734 3/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
GPR119 Q8TDV5 2/20 0.31
SSTR4 P31391 2/20 0.31
PTK2 Q05397 1/20 0.31
SCD O00767 1/20 0.31

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
SCHEMBL12674781 0.90 GPBAR1 (0.34) MAPTCD38HDAC1HDAC8HDAC6
SCHEMBL12675418 0.85 MAPT (0.36) MAPTCD38HDAC1HDAC8HDAC6
SCHEMBL12674778 0.83 MAPT (0.35) MAPTCD38HDAC1HDAC8HDAC6
SCHEMBL12640364 0.80 SLC13A5 (0.37) MAPK1F2
SCHEMBL12640378 0.80 PPARD (0.39) HDAC1HDAC8HDAC6
SCHEMBL12640367 0.79 HDAC1 (0.31) HDAC1HDAC8HDAC6ALDH1A1SSTR4
SCHEMBL12675114 0.78 HDAC1 (0.32) HDAC1HDAC8HDAC6
SCHEMBL12674782 0.78 MLYCD (0.37) MAPTHDAC1HDAC8HDAC6CACNA1G
SCHEMBL12675106 0.78 MAPT (0.34) MAPTCD38HDAC1HDAC8HDAC6
SCHEMBL12640371 0.77 ADORA2B (0.33) HDAC1HDAC8HDAC6

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 MAPT 1276/4885CD38 1045/4885HDAC1 2665/4885
US-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, FLT3, BRAF MAPT 1276/4885CD38 1045/4885HDAC1 2665/4885

“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.