SCHEMBL14715959

SCHEMBL14715959

N#Cc1cnc2ccc(C(=O)c3c(F)ccc(NS(=O)(=O)c4cccc(F)c4)c3F)cc2n1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.51
CYP2C9 P11712 5/20 0.48
BRAF P15056 2/20 0.45
CYP2C19 P33261 2/20 0.40
AKT1 P31749 1/20 0.38
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
SLC40A1 Q9NP59 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL14716094 0.92 CYP3A4 (0.47) CYP3A4CYP2C9BRAFCYP2C19SLC40A1
SCHEMBL14716133 0.92 CYP3A4 (0.44) CYP3A4CYP2C9BRAFCYP2C19AKT1
SCHEMBL14716231 0.91 CYP2C9 (0.44) CYP3A4CYP2C9BRAFAKT1PIK3CA
SCHEMBL14809764 0.89 CYP2C9 (0.56) CYP3A4CYP2C9BRAFAKT1PIK3CA
SCHEMBL14716020 0.87 CYP3A4 (0.58) CYP3A4CYP2C9BRAFCYP2C19AKT1
SCHEMBL14715997 0.85 CYP3A4 (0.59) CYP3A4CYP2C9BRAFCYP2C19PIK3CA
SCHEMBL14716269 0.84 CYP3A4 (0.58) CYP3A4CYP2C9BRAFCYP2C19CYP2D6
SCHEMBL14783331 0.84 BRAF (0.46) CYP3A4BRAFSMN1; SMN2
SCHEMBL14716332 0.84 CYP2C9 (0.41) CYP3A4CYP2C9BRAFLMNASMN1; SMN2
SCHEMBL14716219 0.83 MAP3K8 (0.42) CYP3A4CYP2C9BRAFPIK3CASLC40A1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200390763-A1 BENZENESULFONAMIDE DERIVATIVES OF QUINOXALINE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN METHODS FOR TREATING CANCER NEUPHARMA, INC. 2020-12-17 US claimed
EP-2747767-B1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA INC (US) 2019-02-20 EP claimed
US-9295671-B2 Benzenesulfonamide derivatives of quinoxaline, pharmaceutical compositions thereof, and their use in methods for treating cancer NEUPHARMA, INC. (US) 2016-03-29 US claimed
EP-2747767-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Neupharma, Inc. (US) 2014-07-02 EP claimed
WO-2013032951-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. (US) 2013-03-07 WO claimed
US-20130053384-A1 Certain Chemical Entities, Compositions, and Methods NEUPHARMA, INC. (US) 2013-02-28 US claimed
US-20200390763-A1 BENZENESULFONAMIDE DERIVATIVES OF QUINOXALINE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN METHODS FOR TREATING CANCER NEUPHARMA, INC. 2020-12-17 US disclosed
US-10561652-B2 Benzenesulfonamide derivatives of quinoxaline, pharmaceutical compositions thereof, and their use in methods for treating cancer NEUPHARMA, INC. (US) 2020-02-18 US disclosed
EP-2747767-B1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA INC (US) 2019-02-20 EP disclosed
US-10137125-B2 Benzenesulfonamide derivatives of quinoxaline, pharmaceutical compositions thereof, and their use in methods for treating cancer NEUPHARMA, INC. (US) 2018-11-27 US disclosed
US-20170340630-A1 BENZENESULFONAMIDE DERIVATIVES OF QUINOXALINE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN METHODS FOR TREATING CANCER NEUPHARMA, INC. 2017-11-30 US disclosed
EP-2757885-B1 CERTAIN CHEMICAL ENTITES, COMPOSITIONS, AND METHODS NEUPHARMA INC (US) 2017-03-15 EP disclosed
US-9572808-B2 Benzenesulfonamide derivatives of quinoxaline, pharmaceutical compositions thereof, and their use in methods for treating cancer NEUPHARMA, INC. (US) 2017-02-21 US disclosed
US-9249110-B2 Substituted quinoxalines as B-raf kinase inhibitors NEUPHARMA, INC. (US) 2016-02-02 US disclosed
US-20150057276-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2015-02-26 US disclosed
EP-2757885-A1 CERTAIN CHEMICAL ENTITES, COMPOSITIONS, AND METHODS Neupharma, Inc. (US) 2014-07-30 EP disclosed
EP-2747767-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Neupharma, Inc. (US) 2014-07-02 EP disclosed
WO-2013043935-A1 CERTAIN CHEMICAL ENTITES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. (US) 2013-03-28 WO disclosed
WO-2013032951-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. (US) 2013-03-07 WO disclosed
US-20130053384-A1 Certain Chemical Entities, Compositions, and Methods NEUPHARMA, INC. (US) 2013-02-28 US 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 (6 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-20200390763-A1 BENZENESULFONAMIDE DERIVATIVES OF QUINOXALINE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN METHODS FOR TREATING CANCER PDXK, BRAF, CHEK1 CYP3A4 646/4885CYP2C9 695/4885BRAF 2/4885
US-10561652-B2 Benzenesulfonamide derivatives of quinoxaline, pharmaceutical compositions thereof, and their use in methods for treating cancer PDXK, BRAF, CHEK1 CYP3A4 646/4885CYP2C9 695/4885BRAF 2/4885
US-20150057276-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, PIK3CA, PLK1 CYP3A4 1264/4885CYP2C9 1506/4885BRAF 1/4885
US-20170340630-A1 BENZENESULFONAMIDE DERIVATIVES OF QUINOXALINE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN METHODS FOR TREATING CANCER PDXK, BRAF, CHEK1 CYP3A4 646/4885CYP2C9 695/4885BRAF 2/4885
US-10137125-B2 Benzenesulfonamide derivatives of quinoxaline, pharmaceutical compositions thereof, and their use in methods for treating cancer PDXK, CHEK1, CHEK2 CYP3A4 735/4885CYP2C9 702/4885BRAF 4/4885
US-20130053384-A1 Certain Chemical Entities, Compositions, and Methods BRAF, PIK3CA, PLK1 CYP3A4 1267/4885CYP2C9 1625/4885BRAF 1/4885

“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.