SCHEMBL2016259

SCHEMBL2016259

O=C(c1cccc(NS(=O)(=O)c2ccccc2F)c1F)c1c[nH]c2ncc(Br)cc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 6/20 0.76
CYP3A4 P08684 3/20 0.64
CYP2C19 P33261 2/20 0.52
CYP2D6 P10635 1/20 0.47
BRAF P15056 3/20 0.47
PIK3CD O00329 1/20 0.44
PIK3R1 P27986 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44
BMPR1B O00238 1/20 0.42
PLK4 O00444 1/20 0.42
PIR O00625 1/20 0.42
AURKA O14965 1/20 0.42
DCLK1 O15075 1/20 0.42
EPHB6 O15197 1/20 0.42
RIPK2 O43353 1/20 0.42
STK16 O75716 1/20 0.42
OXSR1 O95747 1/20 0.42
MAP4K4 O95819 1/20 0.42

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
SCHEMBL4570648 0.86 CYP2C9 (0.73) CYP2C9CYP3A4CYP2C19CYP2D6BRAF
SCHEMBL298852 0.86 CYP2C9 (1.00) CYP2C9CYP3A4CYP2C19CYP2D6BRAF
SCHEMBL12400979 0.86 CYP2C9 (0.72) CYP2C9CYP3A4CYP2C19CYP2D6BRAF
SCHEMBL20408713 0.85 CYP2C9 (0.58) CYP2C9CYP3A4CYP2C19CYP2D6BRAF
SCHEMBL288360 0.85 CYP2C9 (0.73) CYP2C9CYP3A4CYP2C19CYP2D6PIK3CD
SCHEMBL12401847 0.84 CYP2C9 (0.64) CYP2C9CYP3A4CYP2C19CYP2D6BRAF
SCHEMBL2162976 0.84 CYP2C9 (0.69) CYP2C9CYP3A4CYP2C19CYP2D6PIK3CD
SCHEMBL297800 0.83 CYP2C9 (0.58) CYP2C9CYP3A4CYP2C19CYP2D6BRAF
SCHEMBL21624500 0.83 CYP2C9 (0.59) CYP2C9CYP3A4CYP2C19CYP2D6BRAF
SCHEMBL15666874 0.81 CYP2C9 (0.61) CYP2C9CYP3A4CYP2C19BRAFBMPR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9440969-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2016-09-13 US disclosed
US-9440969-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2016-09-13 US disclosed
US-9440969-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2016-09-13 US disclosed
US-20150080372-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2015-03-19 US disclosed
US-20150080372-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2015-03-19 US disclosed
US-20150080372-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2015-03-19 US disclosed
EP-2516438-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2012-10-31 EP disclosed
CN-102753549-A Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC 2012-10-24 CN disclosed
US-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2011-07-28 US disclosed
US-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2011-07-28 US disclosed
US-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2011-07-28 US disclosed
WO-2011079133-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-06-30 WO disclosed
WO-2011079133-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-06-30 WO 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-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, NRAS CYP2C9 2483/4885CYP3A4 2226/4885CYP2C19 2453/4885
US-20150080372-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, NRAS CYP2C9 2483/4885CYP3A4 2226/4885CYP2C19 2453/4885

“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.