SCHEMBL14716191

SCHEMBL14716191

CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2ccc3ncc(-c4ccncc4)nc3c2)c1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.53
CYP2C9 P11712 2/20 0.51
MAP2K4 P45985 5/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 3/20 0.49
CYP2D6 P10635 1/20 0.49
RIPK2 O43353 2/20 0.49
RAF1 P04049 2/20 0.49
KDR P35968 2/20 0.49
MAP2K2 P36507 2/20 0.49
TGFBR2 P37173 2/20 0.49
NEK2 P51955 2/20 0.49
MAP2K1 Q02750 2/20 0.49
TNK2 Q07912 2/20 0.49
MAP2K5 Q13163 2/20 0.49
PTK6 Q13882 2/20 0.49
NEK11 Q8NG66 2/20 0.49
MAP3K20 Q9NYL2 2/20 0.49
MAP4K5 Q9Y4K4 2/20 0.49
BMPR1B O00238 1/20 0.49

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
SCHEMBL14716141 0.92 MAP2K4 (0.57) BRAFMAP2K4CYP2C19RIPK2RAF1
SCHEMBL14716160 0.92 BRAF (0.57) BRAFMAP2K4CYP2C19CYP2D6RIPK2
SCHEMBL14716039 0.92 BRAF (0.56) BRAFCYP2C9MAP2K4CYP3A4CYP2C19
SCHEMBL14715883 0.92 BRAF (0.48) BRAFCYP2C9MAP2K4CYP2C19RIPK2
SCHEMBL14716174 0.91 BRAF (0.58) BRAFCYP2C9MAP2K4CYP2C19CYP2D6
SCHEMBL14716312 0.91 BRAF (0.48) BRAFCYP2C9MAP2K4CYP3A4
SCHEMBL14716130 0.89 MAP2K4 (0.53) BRAFCYP2C9MAP2K4CYP2C19CYP2D6
SCHEMBL14715968 0.87 BRAF (0.45) BRAFCYP2C9MAP2K4CYP2C19RIPK2
SCHEMBL14716315 0.87 CYP2C19 (0.64) BRAFCYP2C9MAP2K4CYP3A4CYP2C19
SCHEMBL14716213 0.87 BRAF (0.59) BRAFMAP2K4CYP3A4CYP2C19CYP2D6

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 18 patents. 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
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
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-20160303118-A1 BENZENESULFONAMIDE DERIVATIVES OF QUINOXALINE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN METHODS FOR TREATING CANCER NEUPHARMA, INC. 2016-10-20 US disclosed
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 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
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 (7 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 BRAF 2/4885CYP2C9 695/4885MAP2K4 701/4885
US-10561652-B2 Benzenesulfonamide derivatives of quinoxaline, pharmaceutical compositions thereof, and their use in methods for treating cancer PDXK, BRAF, CHEK1 BRAF 2/4885CYP2C9 695/4885MAP2K4 701/4885
US-20150057276-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, PIK3CA, PLK1 BRAF 1/4885CYP2C9 1506/4885MAP2K4 758/4885
US-20160303118-A1 BENZENESULFONAMIDE DERIVATIVES OF QUINOXALINE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN METHODS FOR TREATING CANCER PDXK, BRAF, CHEK1 BRAF 2/4885CYP2C9 695/4885MAP2K4 701/4885
US-20170340630-A1 BENZENESULFONAMIDE DERIVATIVES OF QUINOXALINE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN METHODS FOR TREATING CANCER PDXK, BRAF, CHEK1 BRAF 2/4885CYP2C9 695/4885MAP2K4 701/4885
US-10137125-B2 Benzenesulfonamide derivatives of quinoxaline, pharmaceutical compositions thereof, and their use in methods for treating cancer PDXK, CHEK1, CHEK2 BRAF 4/4885CYP2C9 702/4885MAP2K4 668/4885
US-20130053384-A1 Certain Chemical Entities, Compositions, and Methods BRAF, PIK3CA, PLK1 BRAF 1/4885CYP2C9 1625/4885MAP2K4 673/4885

“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.