SCHEMBL1817661

SCHEMBL1817661

O=C(c1c(F)ccc(NS(=O)(=O)C2CCC(F)(F)C2)c1F)c1c[nH]c2ncnc(NCC3CC3)c12

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 9/20 0.66
CYP2C19 P33261 7/20 0.54
CYP2C9 P11712 7/20 0.49
CYP1A2 P05177 1/20 0.48
BTK Q06187 1/20 0.46

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
SCHEMBL1820460 0.95 CYP3A4 (0.68) CYP3A4CYP2C19CYP2C9CYP1A2BTK
SCHEMBL1817824 0.91 CYP3A4 (0.74) CYP3A4CYP2C19CYP2C9CYP1A2BTK
SCHEMBL1816177 0.89 CYP3A4 (0.72) CYP3A4CYP2C19CYP2C9CYP1A2BTK
SCHEMBL1820537 0.89 CYP3A4 (0.72) CYP3A4CYP2C19CYP2C9CYP1A2BTK
SCHEMBL1819365 0.88 CYP3A4 (0.71) CYP3A4CYP2C19CYP2C9CYP1A2BTK
SCHEMBL1819375 0.87 CYP3A4 (0.69) CYP3A4CYP2C19CYP2C9CYP1A2BTK
SCHEMBL18712290 0.87 CYP3A4 (0.75) CYP3A4CYP2C19CYP2C9CYP1A2BTK
SCHEMBL1817584 0.86 CYP3A4 (0.68) CYP3A4CYP2C19CYP2C9CYP1A2BTK
SCHEMBL12605147 0.85 CYP3A4 (0.75) CYP3A4CYP2C19CYP2C9CYP1A2BTK
SCHEMBL1816744 0.84 CYP3A4 (0.72) CYP3A4CYP2C19CYP2C9CYP1A2BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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
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 CYP3A4 2604/4885CYP2C19 2391/4885CYP2C9 2207/4885
US-20140288070-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, KRAS, RAF1 CYP3A4 2604/4885CYP2C19 2391/4885CYP2C9 2207/4885

“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.