SCHEMBL2015369

SCHEMBL2015369

CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cnn(C(N)=O)c4)cc23)c1F

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.75
CYP2C19 P33261 12/20 0.75
CYP2C9 P11712 9/20 0.74
CYP3A4 P08684 3/20 0.74
RIPK2 O43353 1/20 0.74
ABCB11 O95342 1/20 0.74
EGFR P00533 1/20 0.74
KRAS P01116 1/20 0.74
RAF1 P04049 1/20 0.74
PGR P06401 1/20 0.74
RET P07949 1/20 0.74
CHRM2 P08172 1/20 0.74
ADORA3 P0DMS8 1/20 0.74
ARAF P10398 1/20 0.74
CHRM1 P11229 1/20 0.74
CHRM3 P20309 1/20 0.74
FECH P22830 1/20 0.74
KDR P35968 1/20 0.74
MAP2K2 P36507 1/20 0.74
TGFBR2 P37173 1/20 0.74

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
SCHEMBL298531 0.90 CYP2C19 (0.78) BRAFCYP2C19CYP2C9CYP3A4RIPK2
SCHEMBL12467578 0.89 CYP2C19 (0.75) BRAFCYP2C19CYP2C9CYP3A4RIPK2
SCHEMBL2016449 0.89 CYP2C19 (0.75) BRAFCYP2C19CYP2C9CYP3A4RIPK2
SCHEMBL16568762 0.88 CYP2C19 (0.75) BRAFCYP2C19CYP2C9CYP3A4RIPK2
SCHEMBL297707 0.87 CYP2C19 (0.79) BRAFCYP2C19CYP2C9CYP3A4RIPK2
SCHEMBL2014109 0.87 CYP2C19 (0.75) BRAFCYP2C19CYP2C9CYP3A4RIPK2
SCHEMBL2162847 0.86 CYP2C9 (0.71) BRAFCYP2C19CYP2C9CYP3A4RIPK2
SCHEMBL299002 0.86 BRAF (0.85) BRAFCYP2C19CYP2C9CYP3A4RIPK2
SCHEMBL29898552 0.86 BRAF (0.85) BRAFCYP2C19CYP2C9CYP3A4RIPK2
SCHEMBL20294636 0.86 BRAF (1.00) BRAFCYP2C19CYP2C9CYP3A4RIPK2

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-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2011-07-28 US claimed
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
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

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 BRAF 1/4885CYP2C19 2453/4885CYP2C9 2483/4885
US-20150080372-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, NRAS BRAF 1/4885CYP2C19 2453/4885CYP2C9 2483/4885

“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.