SCHEMBL13169463

SCHEMBL13169463

C=CC(=O)Nc1ccc(Sc2ccnc(Nc3ccc(OC)cc3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.56
EGFR P00533 12/20 0.52
FLT3 P36888 5/20 0.52
BLK P51451 3/20 0.52
BTK Q06187 9/20 0.50
JAK3 P52333 2/20 0.48
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
ITK Q08881 3/20 0.47
PLK4 O00444 1/20 0.46

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
SCHEMBL3693031 1.00 TGM2 (0.56) TGM2EGFRFLT3BLKBTK
SCHEMBL13169517 0.90 EGFR (0.61) EGFRBTKITK
SCHEMBL13169424 0.90 EGFR (0.60) EGFRFLT3BLKBTKJAK3
SCHEMBL13169540 0.89 EGFR (0.56) EGFRFLT3BLKBTKJAK3
SCHEMBL13170067 0.89 PLK4 (0.47) EGFRBTKJAK3MEN1KMT2A
SCHEMBL13170072 0.88 TGM2 (0.53) TGM2EGFRBTKJAK3ITK
SCHEMBL13169406 0.88 EGFR (0.58) EGFRBTKJAK3ITK
SCHEMBL3693264 0.87 BTK (0.53) EGFRFLT3BTKJAK3MEN1
SCHEMBL13170055 0.87 PLK4 (0.54) EGFRFLT3BLKJAK3ITK
SCHEMBL13170050 0.87 PLK4 (0.61) TGM2EGFRFLT3BLKBTK

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 TGM2 965/4885EGFR 1570/4885FLT3 107/4885
US-20100239631-A1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF JAK3, JAK1, JAK2 TGM2 965/4885EGFR 1570/4885FLT3 107/4885
US-20140051703-A1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF JAK3, JAK1, JAK2 TGM2 965/4885EGFR 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.