SCHEMBL3909008

SCHEMBL3909008

CC(C)(C)OC(=O)NCCNc1ccnc(Cl)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.55
STK17A Q9UEE5 1/20 0.55
BCHE P06276 1/20 0.49
LATS1 O95835 1/20 0.46
MALT1 Q9UDY8 1/20 0.45
AAK1 Q2M2I8 2/20 0.43
ALOX5AP P20292 1/20 0.43
BRD4 O60885 1/20 0.43
SUV39H2 Q9H5I1 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
ADORA3 P0DMS8 3/20 0.41
ADORA2A P29274 3/20 0.41
ATR Q13535 1/20 0.41
ADORA1 P30542 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
SCHEMBL14907973 0.92 STK17B (0.65) STK17BSTK17ABCHEAAK1BRD4
SCHEMBL14907944 0.84 BCHE (0.49) STK17BSTK17ABCHELATS1MALT1
SCHEMBL3336071 0.84 HRH4 (0.60) BCHELATS1ALOX5AP
SCHEMBL17784777 0.83 STK17B (0.48) STK17BSTK17ABCHELATS1MALT1
SCHEMBL4648083 0.82 ATR (0.52) STK17BSTK17AAAK1ATR
SCHEMBL6221982 0.82 STK17B (0.52) STK17BSTK17ABCHEAAK1ALDH1A1
SCHEMBL30467285 0.82 STK17B (0.52) STK17BSTK17ABCHEAAK1ALDH1A1
SCHEMBL9884956 0.82 STK17B (0.49) STK17BSTK17ABCHELATS1MALT1
SCHEMBL3909900 0.80 ALDH1A1 (0.47) STK17AALDH1A1CYP1A2CYP3A4HSD17B10
SCHEMBL20991784 0.80 AAK1 (0.45) STK17BSTK17AAAK1ATRPCSK9

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200283406-A1 ANTIPROLIFERATIVE PYRIMIDINE-BASED COMPOUNDS G1 THERAPEUTICS, INC. (US) 2020-09-10 US disclosed
US-10654831-B2 Antiproliferative pyrimidine-based compounds G1 THERAPEUTICS, INC. (US) 2020-05-19 US disclosed
US-20190135784-A1 ANTIPROLIFERATIVE PYRIMIDINE-BASED COMPOUNDS G1 THERAPEUTICS, INC. (US) 2019-05-09 US disclosed
US-9926333-B2 Flap modulators JANSSEN PHARMACEUTICA NV (BE) 2018-03-27 US disclosed
US-20170327514-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-11-16 US disclosed
US-9732093-B2 FLAP modulators JANSSEN PHARMACEUTICA NV (BE) 2017-08-15 US disclosed
CN-105073742-B FLAP conditioning agents 詹森药业有限公司 2017-08-08 CN disclosed
US-20150368270-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-12-24 US disclosed
US-9174984-B2 Chemical compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-11-03 US disclosed
US-20150252008-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-09-10 US disclosed
US-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-10-01 US disclosed
US-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-10-01 US disclosed
US-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-10-01 US disclosed
EP-2024333-A2 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE Cancer Research Technology Limited (GB) 2009-02-18 EP disclosed
EP-1675830-A4 HETEROCYCLIC AMIDES AND SULFONAMIDES SCIOS INC (US) 2008-08-20 EP disclosed
WO-2007125331-A2 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-11-08 WO disclosed
WO-2007125331-A2 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-11-08 WO disclosed
US-20060199821-A1 Heterocyclic amides and sulfonamides SCIOS, INC. (US) 2006-09-07 US disclosed
EP-1675830-A2 HETEROCYCLIC AMIDES AND SULFONAMIDES SCIOS INC. (US) 2006-07-05 EP disclosed
WO-2005033072-A2 HETEROCYCLIC AMIDES AND SULFONAMIDES SCIOS INC. (US) 2005-04-14 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-20190135784-A1 ANTIPROLIFERATIVE PYRIMIDINE-BASED COMPOUNDS MKI67, TYMS, TYMP STK17B 667/4885STK17A 982/4885BCHE 4635/4885
US-20170327514-A1 FLAP MODULATORS FEN1, PGF, TBXA2R STK17B 3883/4885STK17A 3513/4885BCHE 1855/4885
US-20060199821-A1 Heterocyclic amides and sulfonamides MAP4K2, MAP3K8, MAP3K2 STK17B 217/4885STK17A 205/4885BCHE 4581/4885
US-20150368270-A1 FLAP MODULATORS FEN1, PGF, TBXA2R STK17B 3883/4885STK17A 3513/4885BCHE 1855/4885
US-10654831-B2 Antiproliferative pyrimidine-based compounds MKI67, TYMS, TYMP STK17B 667/4885STK17A 982/4885BCHE 4635/4885
US-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE PKD2, PKD1, AADAT STK17B 1069/4885STK17A 1341/4885BCHE 4613/4885
US-20200283406-A1 ANTIPROLIFERATIVE PYRIMIDINE-BASED COMPOUNDS MKI67, TYMS, TYMP STK17B 667/4885STK17A 982/4885BCHE 4635/4885
US-20150252008-A1 FLAP MODULATORS FEN1, PGF, PTGIS STK17B 3781/4885STK17A 3406/4885BCHE 2357/4885

“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.