SCHEMBL1886499

SCHEMBL1886499

COc1ccc(CN(C(=O)OC(C)(C)C)c2ccc(Br)c(F)n2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.37
TAS2R14 Q9NYV8 1/20 0.36
DGAT1 O75907 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
EGFR P00533 2/20 0.33
GPR119 Q8TDV5 1/20 0.33
ITK Q08881 1/20 0.33
ACACB O00763 2/20 0.33
GRM2 Q14416 1/20 0.33
ADORA2A P29274 1/20 0.32
GPR183 P32249 1/20 0.32
CHRM1 P11229 1/20 0.32
NNMT P40261 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MAPT P10636 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
SCHEMBL1267786 0.87 ERN1 (0.39) TAS2R14HDAC1HDAC8HDAC6EGFR
SCHEMBL2599982 0.87 SSTR4 (0.41) SSTR4HDAC1HDAC8HDAC6GRM2
SCHEMBL12675376 0.87 SSTR4 (0.38) SSTR4HDAC1HDAC8HDAC6GRM2
SCHEMBL12675381 0.86 KCNH2 (0.40) SSTR4HDAC1HDAC8HDAC6GPR119
SCHEMBL2599985 0.84 SSTR4 (0.36) SSTR4DGAT1HDAC1HDAC8HDAC6
SCHEMBL2599948 0.84 SSTR4 (0.36) SSTR4HDAC1HDAC8HDAC6GRM2
SCHEMBL1267060 0.83 SSTR4 (0.38) SSTR4HDAC1HDAC8HDAC6GRM2
SCHEMBL12675387 0.82 SSTR4 (0.38) SSTR4HDAC1HDAC8HDAC6GRM2
SCHEMBL1890222 0.81 TAS2R14 (0.36) TAS2R14EGFRGPR119ITKACACB
SCHEMBL2599977 0.80 SSTR4 (0.41) SSTR4HDAC1HDAC8HDAC6GRM2

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 10 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-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
US-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2014-02-13 US disclosed
EP-2496086-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2012-09-12 EP disclosed
WO-2011057022-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-05-12 WO 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 SSTR4 1200/4885TAS2R14 4176/4885DGAT1 3870/4885
US-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, FLT3, BRAF SSTR4 1200/4885TAS2R14 4176/4885DGAT1 3870/4885

“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.