SCHEMBL13169885

SCHEMBL13169885

C=CC(=O)Nc1ccc(Sc2nc(Nc3cccc(N4CCOCC4)c3)ncc2I)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTK Q06187 7/20 0.60
EGFR P00533 7/20 0.57
FLT3 P36888 2/20 0.57
BLK P51451 2/20 0.57
JAK3 P52333 4/20 0.54
JAK2 O60674 3/20 0.54
JAK1 P23458 3/20 0.54
TYK2 P29597 2/20 0.54
TTK P33981 1/20 0.54
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
MAP3K7 O43318 1/20 0.49
MAPK1 P28482 1/20 0.49
MAP2K1 Q02750 1/20 0.49

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
SCHEMBL13169977 0.92 JAK3 (0.61) BTKEGFRFLT3BLKJAK3
SCHEMBL13169819 0.90 BTK (0.62) BTKEGFRFLT3BLKJAK3
SCHEMBL13169882 0.90 BTK (0.60) BTKEGFRFLT3BLKJAK3
SCHEMBL13169473 0.84 PLK4 (0.70) BTKEGFRFLT3BLKJAK3
SCHEMBL13169879 0.84 PLK4 (0.69) JAK3JAK2JAK1HDAC3HDAC1
SCHEMBL13169978 0.81 JAK3 (0.70) BTKEGFRFLT3BLKJAK3
SCHEMBL13169884 0.81 JAK3 (0.61) BTKEGFRFLT3BLKJAK3
SCHEMBL13169547 0.81 JAK3 (0.61) BTKEGFRFLT3BLKJAK3
SCHEMBL13169963 0.81 JAK3 (0.61) BTKEGFRFLT3BLKJAK3
SCHEMBL13169837 0.81 EGFR (0.59) BTKEGFRFLT3BLKJAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040549-B2 Thiopyrimidine-based compounds and uses thereof YM BIOSCIENCES AUSTRALIA PTY LTD. (US) 2015-05-26 US disclosed
US-9040549-B2 Thiopyrimidine-based compounds and uses thereof YM BIOSCIENCES AUSTRALIA PTY LTD. (US) 2015-05-26 US disclosed
US-8846704-B2 Thiopyrimidine-based compounds and uses thereof YM Biosciences Austraila Pty Ltd (US) 2014-09-30 US disclosed
US-8846704-B2 Thiopyrimidine-based compounds and uses thereof YM Biosciences Austraila Pty Ltd (US) 2014-09-30 US disclosed
US-20140051703-A1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF CYTOPIA RESEARCH PTY LTD. (AU) 2014-02-20 US disclosed
US-20140051703-A1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF CYTOPIA RESEARCH PTY LTD. (AU) 2014-02-20 US disclosed
US-20140045848-A1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF CYTOPIA RESEARCH PTY LTD. (AU) 2014-02-13 US disclosed
US-20140045848-A1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF CYTOPIA RESEARCH PTY LTD. (AU) 2014-02-13 US disclosed
US-20100239631-A1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF YM BIOSCIENCES AUSTRALIA PTY LTD 2010-09-23 US disclosed
US-20100239631-A1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF YM BIOSCIENCES AUSTRALIA PTY LTD 2010-09-23 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 (3 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-20140045848-A1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF JAK3, JAK1, JAK2 BTK 53/4885EGFR 1570/4885FLT3 107/4885
US-20100239631-A1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF JAK3, JAK1, JAK2 BTK 53/4885EGFR 1570/4885FLT3 107/4885
US-20140051703-A1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF JAK3, JAK1, JAK2 BTK 53/4885EGFR 1570/4885FLT3 107/4885

“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.