SCHEMBL1816631

SCHEMBL1816631

O=C(c1c(F)ccc(NS(=O)(=O)c2cccnc2)c1F)c1c[nH]c2ncnc(NCC3CC3)c12

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 14/20 0.75
CYP2C9 P11712 6/20 0.64
CYP2C19 P33261 6/20 0.59

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
SCHEMBL1818987 0.92 CYP3A4 (0.83) CYP3A4CYP2C9CYP2C19
SCHEMBL1816519 0.89 CYP3A4 (0.76) CYP3A4CYP2C9CYP2C19
SCHEMBL1818058 0.88 CYP3A4 (0.85) CYP3A4CYP2C9CYP2C19
SCHEMBL12655178 0.88 CYP3A4 (0.75) CYP3A4CYP2C9CYP2C19
SCHEMBL1818190 0.88 CYP3A4 (0.79) CYP3A4CYP2C9CYP2C19
SCHEMBL1816704 0.88 CYP3A4 (0.82) CYP3A4CYP2C9CYP2C19
SCHEMBL1818051 0.87 CYP3A4 (0.75) CYP3A4CYP2C9CYP2C19
SCHEMBL2026944 0.87 CYP3A4 (0.75) CYP3A4CYP2C9CYP2C19
SCHEMBL1816636 0.87 CYP3A4 (0.69) CYP3A4CYP2C9CYP2C19
SCHEMBL1818049 0.86 CYP3A4 (0.72) CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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
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
CN-105906631-A Compounds and methods for kinase modulation, and indications therefor 普莱希科公司 2016-08-31 CN 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 2604/4885CYP2C9 2207/4885CYP2C19 2391/4885
US-20140288070-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, KRAS, RAF1 CYP3A4 2604/4885CYP2C9 2207/4885CYP2C19 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.