SCHEMBL14716082

SCHEMBL14716082

CCCS(=O)(=O)Nc1cc(F)c(F)c(C(=O)c2ccc3ncc(N4CCNCC4)nc3c2)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.46
HDAC2 Q92769 2/20 0.46
PIK3CB P42338 2/20 0.45
MTOR P42345 2/20 0.45
PIK3CG P48736 2/20 0.45
PIK3CD O00329 1/20 0.45
BRAF P15056 9/20 0.43
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RIPK2 O43353 6/20 0.41
BMPR1B O00238 1/20 0.41
PLK4 O00444 1/20 0.41
PIR O00625 1/20 0.41
AURKA O14965 1/20 0.41
DCLK1 O15075 1/20 0.41
EPHB6 O15197 1/20 0.41
STK16 O75716 1/20 0.41
OXSR1 O95747 1/20 0.41
MAP4K4 O95819 1/20 0.41
ABL1 P00519 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
SCHEMBL14716326 0.93 BRAF (0.48) HDAC3HDAC2PIK3CBMTORPIK3CG
SCHEMBL14716024 0.91 BRAF (0.48) PIK3CBMTORPIK3CGPIK3CDBRAF
SCHEMBL17046496 0.88 RIPK2 (0.43) HDAC3BRAFRIPK2BMPR1BPLK4
SCHEMBL16505560 0.88 BRAF (0.49) HDAC3HDAC2PIK3CBMTORPIK3CG
SCHEMBL14716344 0.88 CYP2C19 (0.52) HDAC3HDAC2BRAFCYP2C9CYP2C19
SCHEMBL14716241 0.86 BRAF (0.47) BRAFRIPK2BMPR1BPLK4PIR
SCHEMBL14716150 0.85 BRAF (0.43) BRAFRIPK2BMPR1BPLK4PIR
SCHEMBL14809264 0.84 BRAF (0.47) HDAC3HDAC2PIK3CBMTORPIK3CG
SCHEMBL14716233 0.84 BRAF (0.43) BRAFRIPK2BMPR1BPLK4PIR
SCHEMBL14716161 0.84 BRAF (0.45) BRAFRIPK2BMPR1BPLK4PIR

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 15 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
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
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-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-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-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 HDAC3 1698/4885HDAC2 2108/4885PIK3CB 145/4885
US-10561652-B2 Benzenesulfonamide derivatives of quinoxaline, pharmaceutical compositions thereof, and their use in methods for treating cancer PDXK, BRAF, CHEK1 HDAC3 1698/4885HDAC2 2108/4885PIK3CB 145/4885
US-20160303118-A1 BENZENESULFONAMIDE DERIVATIVES OF QUINOXALINE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN METHODS FOR TREATING CANCER PDXK, BRAF, CHEK1 HDAC3 1698/4885HDAC2 2108/4885PIK3CB 145/4885
US-20170340630-A1 BENZENESULFONAMIDE DERIVATIVES OF QUINOXALINE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN METHODS FOR TREATING CANCER PDXK, BRAF, CHEK1 HDAC3 1698/4885HDAC2 2108/4885PIK3CB 145/4885
US-10137125-B2 Benzenesulfonamide derivatives of quinoxaline, pharmaceutical compositions thereof, and their use in methods for treating cancer PDXK, CHEK1, CHEK2 HDAC3 1933/4885HDAC2 2578/4885PIK3CB 164/4885
US-20130053384-A1 Certain Chemical Entities, Compositions, and Methods BRAF, PIK3CA, PLK1 HDAC3 1072/4885HDAC2 986/4885PIK3CB 10/4885

“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.