SCHEMBL1815098

SCHEMBL1815098

CC(C)c1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4cc(F)ccc4F)c3F)c12

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 10/20 0.79
CYP1A2 P05177 1/20 0.72
CYP2C19 P33261 6/20 0.71
CYP3A4 P08684 10/20 0.69

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
SCHEMBL18680677 0.89 CYP2C9 (0.77) CYP2C9CYP1A2CYP2C19CYP3A4
SCHEMBL1816910 0.88 CYP2C9 (1.00) CYP2C9CYP1A2CYP2C19CYP3A4
SCHEMBL1816897 0.88 CYP1A2 (0.77) CYP2C9CYP1A2CYP2C19CYP3A4
SCHEMBL1816482 0.87 CYP3A4 (0.77) CYP2C9CYP1A2CYP2C19CYP3A4
SCHEMBL1816983 0.87 CYP2C9 (0.82) CYP2C9CYP1A2CYP2C19CYP3A4
SCHEMBL1817961 0.85 CYP2C9 (0.79) CYP2C9CYP1A2CYP2C19CYP3A4
SCHEMBL12561613 0.85 CYP2C9 (0.84) CYP2C9CYP1A2CYP2C19CYP3A4
SCHEMBL18660539 0.85 CYP2C9 (0.84) CYP2C9CYP1A2CYP2C19CYP3A4
SCHEMBL1982122 0.85 CYP2C9 (0.84) CYP2C9CYP1A2CYP2C19CYP3A4
SCHEMBL1820051 0.84 CYP1A2 (1.00) CYP2C9CYP1A2CYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673928-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2014-03-18 US claimed
EP-2501236-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2012-09-26 EP claimed
US-20110152258-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor PLEXXIKON INC. 2011-06-23 US claimed
WO-2011063159-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-05-26 WO claimed
US-9617267-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-04-11 US disclosed
US-9617267-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-04-11 US disclosed
US-9617267-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-04-11 US disclosed
EP-2501236-B1 N-[2-fluoro-3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-4-benzenesulfonamide derivatives as Raf protein kinase modulators for the treatment of cancer PLEXXIKON INC (US) 2017-03-29 EP disclosed
EP-2501236-B1 N-[2-fluoro-3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-4-benzenesulfonamide derivatives as Raf protein kinase modulators for the treatment of cancer PLEXXIKON INC (US) 2017-03-29 EP disclosed
US-20140288070-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-09-25 US disclosed
US-20140288070-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-09-25 US disclosed
US-20140288070-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-09-25 US disclosed
US-8673928-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2014-03-18 US disclosed
US-8673928-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2014-03-18 US disclosed
US-8673928-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2014-03-18 US disclosed
EP-2501236-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2012-09-26 EP disclosed
US-20110152258-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor PLEXXIKON INC. 2011-06-23 US disclosed
US-20110152258-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor PLEXXIKON INC. 2011-06-23 US disclosed
US-20110152258-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor PLEXXIKON INC. 2011-06-23 US disclosed
WO-2011063159-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-05-26 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-20110152258-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor BRAF, KRAS, RAF1 CYP2C9 2207/4885CYP1A2 3127/4885CYP2C19 2391/4885
US-20140288070-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, KRAS, RAF1 CYP2C9 2207/4885CYP1A2 3127/4885CYP2C19 2391/4885

“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.