SCHEMBL14716192

SCHEMBL14716192

O=C(c1ccc2nccnc2c1)c1c(F)ccc(NS(=O)(=O)c2ccccc2)c1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.48
SLC40A1 Q9NP59 4/20 0.47
CYP2C9 P11712 2/20 0.47
BRAF P15056 2/20 0.47
FABP4 P15090 1/20 0.45
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
CYP2C19 P33261 1/20 0.42
BDKRB1 P46663 1/20 0.42
BCAT1 P54687 1/20 0.42
MCL1 Q07820 1/20 0.41

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
SCHEMBL14715997 0.90 CYP3A4 (0.59) CYP3A4CYP2C9BRAFCYP2C19PIK3CA
SCHEMBL14716227 0.90 SLC40A1 (0.47) CYP3A4SLC40A1BRAFPIK3CA
SCHEMBL14716051 0.89 SLC40A1 (0.51) SLC40A1BRAFHDAC3HDAC4HDAC1
SCHEMBL14716007 0.87 CYP3A4 (0.47) CYP3A4SLC40A1CYP2C9BRAFFABP4
SCHEMBL14716094 0.84 CYP3A4 (0.47) CYP3A4SLC40A1CYP2C9BRAFFABP4
SCHEMBL14716057 0.84 BRAF (0.50) CYP3A4CYP2C9BRAFFABP4CYP2C19
SCHEMBL14716278 0.81 CYP3A4 (0.54) CYP3A4CYP2C9BRAFCYP2C19PIK3CA
SCHEMBL1462085 0.80 FABP4 (0.59) SLC40A1BRAFFABP4
SCHEMBL14809515 0.80 NPC1 (0.48) CYP3A4CYP2C9HDAC3HDAC4HDAC1
SCHEMBL14716040 0.80 CYP3A4 (0.48) CYP3A4SLC40A1CYP2C9BRAFHDAC3

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 25 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
CN-104053442-B Certain chemical entities, compositions, and methods 润新生物公司 2017-06-23 CN 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
CN-107245056-A Chemical entities, composition and method 润新生物公司 2017-10-13 CN 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 646/4885SLC40A1 4351/4885CYP2C9 695/4885
US-10561652-B2 Benzenesulfonamide derivatives of quinoxaline, pharmaceutical compositions thereof, and their use in methods for treating cancer PDXK, BRAF, CHEK1 CYP3A4 646/4885SLC40A1 4351/4885CYP2C9 695/4885
US-20150057276-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, PIK3CA, PLK1 CYP3A4 1264/4885SLC40A1 4824/4885CYP2C9 1506/4885
US-20170340630-A1 BENZENESULFONAMIDE DERIVATIVES OF QUINOXALINE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN METHODS FOR TREATING CANCER PDXK, BRAF, CHEK1 CYP3A4 646/4885SLC40A1 4351/4885CYP2C9 695/4885
US-10137125-B2 Benzenesulfonamide derivatives of quinoxaline, pharmaceutical compositions thereof, and their use in methods for treating cancer PDXK, CHEK1, CHEK2 CYP3A4 735/4885SLC40A1 4312/4885CYP2C9 702/4885
US-20130053384-A1 Certain Chemical Entities, Compositions, and Methods BRAF, PIK3CA, PLK1 CYP3A4 1267/4885SLC40A1 4850/4885CYP2C9 1625/4885

“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.