SCHEMBL14716235

SCHEMBL14716235

CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2ccc3ncc(N4CCOCC4)nc3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.46
CDK6 Q00534 2/20 0.42
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
PIK3CA P42336 7/20 0.42
PIK3CD O00329 6/20 0.42
PIK3CB P42338 6/20 0.42
MTOR P42345 4/20 0.42
PIK3CG P48736 4/20 0.42
PRKDC P78527 1/20 0.42
PIK3C3 Q8NEB9 1/20 0.42
AKT1 P31749 4/20 0.39
HPGD P15428 1/20 0.39
KIF18A Q8NI77 1/20 0.39
GBA1 P04062 1/20 0.38

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
SCHEMBL14716305 0.91 BRAF (0.46) BRAFCDK6KCNQ3KCNQ2PIK3CA
SCHEMBL14716123 0.86 BRAF (0.45) BRAFCDK6PIK3CAPIK3CDPIK3CB
SCHEMBL14715927 0.85 BRAF (0.59) BRAF
SCHEMBL16506339 0.85 BRAF (0.47) BRAFCDK6PIK3CAPIK3CDPIK3CB
SCHEMBL14716140 0.84 BRAF (0.52) BRAFPIK3CAPIK3CDPIK3CBMTOR
Uplarafenib SCHEMBL14716189 0.84 BRAF (0.51) BRAFCDK6PIK3CAPIK3CDPIK3CB
Uplarafenib SCHEMBL29623930 0.84 BRAF (0.51) BRAFCDK6PIK3CAPIK3CDPIK3CB
SCHEMBL14783011 0.82 MTOR (0.52) CDK6KCNQ3KCNQ2PIK3CAPIK3CD
SCHEMBL29591549 0.82 MTOR (0.52) CDK6KCNQ3KCNQ2PIK3CAPIK3CD
SCHEMBL14716024 0.82 BRAF (0.48) BRAFCDK6PIK3CAPIK3CDPIK3CB

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 28 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
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-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
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
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-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
EP-2747767-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Neupharma, Inc. (US) 2014-07-02 EP 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
US-20130053384-A1 Certain Chemical Entities, Compositions, and Methods NEUPHARMA, INC. (US) 2013-02-28 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 (5 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 2/4885CDK6 38/4885KCNQ3 603/4885
US-10561652-B2 Benzenesulfonamide derivatives of quinoxaline, pharmaceutical compositions thereof, and their use in methods for treating cancer PDXK, BRAF, CHEK1 BRAF 2/4885CDK6 38/4885KCNQ3 603/4885
US-20170340630-A1 BENZENESULFONAMIDE DERIVATIVES OF QUINOXALINE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN METHODS FOR TREATING CANCER PDXK, BRAF, CHEK1 BRAF 2/4885CDK6 38/4885KCNQ3 603/4885
US-10137125-B2 Benzenesulfonamide derivatives of quinoxaline, pharmaceutical compositions thereof, and their use in methods for treating cancer PDXK, CHEK1, CHEK2 BRAF 4/4885CDK6 49/4885KCNQ3 593/4885
US-20130053384-A1 Certain Chemical Entities, Compositions, and Methods BRAF, PIK3CA, PLK1 BRAF 1/4885CDK6 110/4885KCNQ3 1813/4885

“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.