SCHEMBL16985205

SCHEMBL16985205

Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(NS(C)(=O)=O)c1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 15/20 0.83
JAK3 P52333 7/20 0.83
JAK2 O60674 6/20 0.83
BRDT Q58F21 3/20 0.83
BRD2 P25440 2/20 0.83
BRD3 Q15059 2/20 0.83
JAK1 P23458 7/20 0.73
RET P07949 2/20 0.73
TYK2 P29597 2/20 0.73
FLT3 P36888 2/20 0.73
PDGFRB P09619 2/20 0.73
SRC P12931 2/20 0.73
BMPR1B O00238 1/20 0.73
PLK4 O00444 1/20 0.73
STK25 O00506 1/20 0.73
CIT O14578 1/20 0.73
RIOK3 O14730 1/20 0.73
CHEK1 O14757 1/20 0.73
IKBKB O14920 1/20 0.73
CASK O14936 1/20 0.73

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
SCHEMBL24304191 0.91 BRD4 (1.00) BRD4JAK3JAK2BRDTBRD2
SCHEMBL20285974 0.90 JAK2 (0.81) BRD4JAK3JAK2BRDTBRD2
SCHEMBL28489539 0.88 BRD4 (0.81) BRD4JAK3JAK2BRDTBRD2
SCHEMBL271058 0.87 BRD4 (0.74) BRD4JAK3JAK2BRDTBRD2
SCHEMBL264158 0.87 JAK3 (0.79) BRD4JAK3JAK2BRDTBRD2
SCHEMBL30381504 0.87 JAK3 (0.79) BRD4JAK3JAK2BRDTBRD2
SCHEMBL16985210 0.86 BRD4 (0.84) BRD4JAK3JAK2BRDTBRD2
SCHEMBL265437 0.86 JAK3 (0.74) BRD4JAK3JAK2BRDTBRD2
SCHEMBL270394 0.86 BRD4 (0.72) BRD4JAK3JAK2BRDTBRD2
SCHEMBL265860 0.86 BRD4 (0.72) BRD4JAK3JAK2BRDTBRD2

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 11 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
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 2/4885JAK3 2823/4885JAK2 806/4885
US-10702527-B2 Combination therapy of transcription inhibitors and kinase inhibitors CHUK, BCOR, MYC BRD4 205/4885JAK3 480/4885JAK2 273/4885
US-20180169097-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS CHUK, BCOR, MYC BRD4 205/4885JAK3 480/4885JAK2 273/4885
US-20190015411-A9 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS CHUK, BCOR, MYC BRD4 205/4885JAK3 480/4885JAK2 273/4885
US-20190135790-A1 DIAMINOPYRIMIDINE BENZENESULFONE DERIVATIVES AND USES THEREOF BRDT, BRD4, BRPF3 BRD4 2/4885JAK3 2823/4885JAK2 806/4885
US-10730860-B2 Diaminopyrimidine benzenesulfone derivatives and uses thereof BRDT, BRD4, BRPF3 BRD4 2/4885JAK3 2823/4885JAK2 806/4885
US-20190192532-A1 COMBINATION THERAPY OF BROMODOMAIN INHIBITORS AND CHECKPOINT BLOCKADE BRD4, BRD3, BRPF3 BRD4 1/4885JAK3 739/4885JAK2 471/4885
US-20200338074-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS CHUK, BCOR, MYC BRD4 205/4885JAK3 480/4885JAK2 273/4885

“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.