SCHEMBL14716213

SCHEMBL14716213

CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 9/20 0.59
CYP2C19 P33261 5/20 0.48
MAP2K4 P45985 5/20 0.48
CYP2D6 P10635 1/20 0.47
BMPR1B O00238 1/20 0.47
PLK4 O00444 1/20 0.47
PIR O00625 1/20 0.47
AURKA O14965 1/20 0.47
DCLK1 O15075 1/20 0.47
EPHB6 O15197 1/20 0.47
RIPK2 O43353 1/20 0.47
STK16 O75716 1/20 0.47
OXSR1 O95747 1/20 0.47
MAP4K4 O95819 1/20 0.47
ABL1 P00519 1/20 0.47
RAF1 P04049 1/20 0.47
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
FES P07332 1/20 0.47
CSF1R P07333 1/20 0.47

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
SCHEMBL14810213 0.92 BRAF (0.52) BRAFCYP2C19MAP2K4BMPR1BPLK4
SCHEMBL14810240 0.88 BRAF (0.47) BRAFFGFR1FGFR2KDRFLT3
SCHEMBL14716160 0.88 BRAF (0.57) BRAFCYP2C19MAP2K4CYP2D6BMPR1B
SCHEMBL14716141 0.88 MAP2K4 (0.57) BRAFCYP2C19MAP2K4BMPR1BPLK4
SCHEMBL14716191 0.87 BRAF (0.53) BRAFCYP2C19MAP2K4CYP2D6BMPR1B
SCHEMBL14716174 0.87 BRAF (0.58) BRAFCYP2C19MAP2K4CYP2D6BMPR1B
SCHEMBL14716130 0.86 MAP2K4 (0.53) BRAFCYP2C19MAP2K4CYP2D6RIPK2
SCHEMBL14716039 0.85 BRAF (0.56) BRAFCYP2C19MAP2K4CYP2D6BMPR1B
SCHEMBL14716315 0.85 CYP2C19 (0.64) BRAFCYP2C19MAP2K4CYP2D6BMPR1B
SCHEMBL14716257 0.84 BRAF (0.57) BRAFCYP2C19MAP2K4BMPR1BPLK4

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 BRAF 2/4885CYP2C19 946/4885MAP2K4 701/4885
US-10561652-B2 Benzenesulfonamide derivatives of quinoxaline, pharmaceutical compositions thereof, and their use in methods for treating cancer PDXK, BRAF, CHEK1 BRAF 2/4885CYP2C19 946/4885MAP2K4 701/4885
US-20150057276-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, PIK3CA, PLK1 BRAF 1/4885CYP2C19 1047/4885MAP2K4 758/4885
US-20170340630-A1 BENZENESULFONAMIDE DERIVATIVES OF QUINOXALINE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN METHODS FOR TREATING CANCER PDXK, BRAF, CHEK1 BRAF 2/4885CYP2C19 946/4885MAP2K4 701/4885
US-10137125-B2 Benzenesulfonamide derivatives of quinoxaline, pharmaceutical compositions thereof, and their use in methods for treating cancer PDXK, CHEK1, CHEK2 BRAF 4/4885CYP2C19 948/4885MAP2K4 668/4885
US-20130053384-A1 Certain Chemical Entities, Compositions, and Methods BRAF, PIK3CA, PLK1 BRAF 1/4885CYP2C19 1087/4885MAP2K4 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.