SCHEMBL16985210

SCHEMBL16985210

CNS(=O)(=O)c1cccc(Nc2nc(Nc3ccc(OCCN4CCCC4)cc3)ncc2C)c1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 11/20 0.84
JAK2 O60674 11/20 0.84
JAK3 P52333 8/20 0.84
JAK1 P23458 8/20 0.84
TYK2 P29597 4/20 0.84
RET P07949 4/20 0.84
FLT3 P36888 4/20 0.84
AXL P30530 4/20 0.84
BRDT Q58F21 3/20 0.84
WEE1 P30291 3/20 0.84
ALK Q9UM73 3/20 0.84
PLK4 O00444 2/20 0.84
CHEK1 O14757 2/20 0.84
AURKA O14965 2/20 0.84
DCLK1 O15075 2/20 0.84
DAPK3 O43293 2/20 0.84
ROCK2 O75116 2/20 0.84
PAK4 O96013 2/20 0.84
ABL1 P00519 2/20 0.84
EGFR P00533 2/20 0.84

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
SCHEMBL20330039 0.93 BRD4 (0.82) BRD4JAK2JAK3JAK1TYK2
SCHEMBL20285974 0.92 JAK2 (0.81) BRD4JAK2JAK3JAK1TYK2
SCHEMBL28489539 0.92 BRD4 (0.81) BRD4JAK2JAK3JAK1TYK2
Fedratinib SCHEMBL263741 0.91 BRD4 (1.00) BRD4JAK2JAK3JAK1TYK2
Fedratinib SCHEMBL29351417 0.91 BRD4 (1.00) BRD4JAK2JAK3JAK1TYK2
SCHEMBL30381504 0.91 JAK3 (0.79) BRD4JAK2JAK3JAK1TYK2
SCHEMBL264158 0.91 JAK3 (0.79) BRD4JAK2JAK3JAK1TYK2
Fedratinib SCHEMBL2734027 0.90 BRD4 (0.98) BRD4JAK2JAK3JAK1TYK2
SCHEMBL13868200 0.90 BRD4 (0.79) BRD4JAK2JAK3JAK1TYK2
SCHEMBL29112228 0.90 BRD4 (0.76) BRD4JAK2JAK3JAK1TYK2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200338074-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-10-29 US disclosed
US-10730860-B2 Diaminopyrimidine benzenesulfone derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-08-04 US disclosed
US-10702527-B2 Combination therapy of transcription inhibitors and kinase inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-07-07 US disclosed
US-20190192532-A1 COMBINATION THERAPY OF BROMODOMAIN INHIBITORS AND CHECKPOINT BLOCKADE PETER MACCALLUM CANCER INSTITUTE (AU) 2019-06-27 US disclosed
US-20190135790-A1 DIAMINOPYRIMIDINE BENZENESULFONE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-05-09 US disclosed
US-20190015411-A9 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-01-17 US disclosed
US-20180169097-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-21 US disclosed
US-20180169097-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-21 US disclosed
WO-2016201370-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-12-15 WO disclosed
US-20160332993-A1 DIAMINOPYRIMIDINE BENZENESULFONE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-11-17 US disclosed
US-20160332993-A1 DIAMINOPYRIMIDINE BENZENESULFONE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-11-17 US disclosed
WO-2015117053-A1 DIAMINOPYRIMIDINE BENZENESULFONE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-08-06 WO 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 (8 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-20160332993-A1 DIAMINOPYRIMIDINE BENZENESULFONE DERIVATIVES AND USES THEREOF BRDT, BRD4, BRPF3 BRD4 2/4885JAK2 806/4885JAK3 2823/4885
US-10702527-B2 Combination therapy of transcription inhibitors and kinase inhibitors CHUK, BCOR, MYC BRD4 205/4885JAK2 273/4885JAK3 480/4885
US-20180169097-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS CHUK, BCOR, MYC BRD4 205/4885JAK2 273/4885JAK3 480/4885
US-20190015411-A9 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS CHUK, BCOR, MYC BRD4 205/4885JAK2 273/4885JAK3 480/4885
US-20190135790-A1 DIAMINOPYRIMIDINE BENZENESULFONE DERIVATIVES AND USES THEREOF BRDT, BRD4, BRPF3 BRD4 2/4885JAK2 806/4885JAK3 2823/4885
US-10730860-B2 Diaminopyrimidine benzenesulfone derivatives and uses thereof BRDT, BRD4, BRPF3 BRD4 2/4885JAK2 806/4885JAK3 2823/4885
US-20190192532-A1 COMBINATION THERAPY OF BROMODOMAIN INHIBITORS AND CHECKPOINT BLOCKADE BRD4, BRD3, BRPF3 BRD4 1/4885JAK2 471/4885JAK3 739/4885
US-20200338074-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS CHUK, BCOR, MYC BRD4 205/4885JAK2 273/4885JAK3 480/4885

“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.