SCHEMBL14725520

SCHEMBL14725520

CC(C)(C)OC(=O)Nc1cc(F)c(F)cc1F

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.48
RXFP1 Q9HBX9 1/20 0.42
BRAF P15056 1/20 0.41
KCNQ4 P56696 3/20 0.41
KCNQ5 Q9NR82 3/20 0.41
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
AAK1 Q2M2I8 2/20 0.39
CNR2 P34972 1/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA9 Q16790 2/20 0.38
CA2 P00918 1/20 0.38
BRD9 Q9H8M2 1/20 0.38
SYK P43405 1/20 0.37
METAP1 P53582 1/20 0.36
GPR119 Q8TDV5 1/20 0.36

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
SCHEMBL28933375 0.88 CYP17A1 (0.45) CYP17A1RXFP1BRAFKCNQ4KCNQ5
SCHEMBL22990771 0.87 CYP17A1 (0.44) CYP17A1RXFP1BRAFKCNQ4KCNQ5
SCHEMBL29697261 0.87 CYP17A1 (0.44) CYP17A1RXFP1BRAFKCNQ4KCNQ5
SCHEMBL31736070 0.87 AAK1 (0.52) CYP17A1RXFP1BRAFKCNQ4KCNQ5
SCHEMBL29448813 0.87 CYP17A1 (0.44) CYP17A1RXFP1BRAFKCNQ4KCNQ5
SCHEMBL6578723 0.87 CYP17A1 (0.44) CYP17A1RXFP1BRAFKCNQ4KCNQ5
SCHEMBL22482353 0.86 CYP17A1 (0.43) CYP17A1RXFP1BRAFKCNQ4KCNQ5
SCHEMBL29675242 0.86 CYP17A1 (0.43) CYP17A1RXFP1BRAFKCNQ4KCNQ5
SCHEMBL31736349 0.85 CYP17A1 (0.44) CYP17A1RXFP1BRAFKCNQ4KCNQ5
SCHEMBL197226 0.85 AAK1 (0.43) CYP17A1RXFP1BRAFKCNQ4KCNQ5

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 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-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-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
CN-104053442-B Certain chemical entities, compositions, and methods 润新生物公司 2017-06-23 CN 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-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-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
CN-104053442-A Certain chemical entities, compositions, and methods NEUPHARMA INC 2014-09-17 CN 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
CN-101641361-A Tetrahydroimidazo [1, 5-a ] pyrazine derivative, preparation method and application thereof in medicine SHANGHAI HENGRUI PHARM CO LTD 2010-02-03 CN 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 CYP17A1 4425/4885RXFP1 4355/4885BRAF 2/4885
US-10561652-B2 Benzenesulfonamide derivatives of quinoxaline, pharmaceutical compositions thereof, and their use in methods for treating cancer PDXK, BRAF, CHEK1 CYP17A1 4425/4885RXFP1 4355/4885BRAF 2/4885
US-20160303118-A1 BENZENESULFONAMIDE DERIVATIVES OF QUINOXALINE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN METHODS FOR TREATING CANCER PDXK, BRAF, CHEK1 CYP17A1 4425/4885RXFP1 4355/4885BRAF 2/4885
US-20170340630-A1 BENZENESULFONAMIDE DERIVATIVES OF QUINOXALINE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN METHODS FOR TREATING CANCER PDXK, BRAF, CHEK1 CYP17A1 4425/4885RXFP1 4355/4885BRAF 2/4885
US-20130053384-A1 Certain Chemical Entities, Compositions, and Methods BRAF, PIK3CA, PLK1 CYP17A1 3084/4885RXFP1 4807/4885BRAF 1/4885

“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.