SCHEMBL3693264

SCHEMBL3693264

C=CC(=O)NCc1ccc(Nc2nccc(Sc3ccc(OC)cc3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 6/20 0.53
EGFR P00533 5/20 0.46
ALDH1A1 P00352 2/20 0.44
ALK Q9UM73 1/20 0.44
JAK3 P52333 2/20 0.43
FLT3 P36888 2/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
PDGFRA P16234 1/20 0.43
KDR P35968 1/20 0.43
CNR2 P34972 1/20 0.42
PLK4 O00444 3/20 0.42

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
SCHEMBL13169463 0.87 TGM2 (0.56) BTKEGFRALDH1A1JAK3FLT3
SCHEMBL3693031 0.87 TGM2 (0.56) BTKEGFRALDH1A1JAK3FLT3
SCHEMBL3701616 0.81 PLK4 (0.65) JAK3JAK2JAK1TYK2PLK4
SCHEMBL13169424 0.80 EGFR (0.60) BTKEGFRJAK3FLT3
SCHEMBL13169540 0.79 EGFR (0.56) BTKEGFRJAK3FLT3
SCHEMBL8995937 0.79 TGM2 (0.59) BTKALDH1A1MEN1KMT2ARAB9A
SCHEMBL13169517 0.78 EGFR (0.61) BTKEGFR
SCHEMBL3693261 0.77 MEN1 (0.47) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL13170067 0.77 PLK4 (0.47) BTKEGFRJAK3JAK2JAK1
SCHEMBL13169406 0.76 EGFR (0.58) BTKEGFRJAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114900-B1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF YM BIOSCIENCES AUSTRALIA PTY (AU) 2018-10-10 EP 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-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-20100239631-A1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF YM BIOSCIENCES AUSTRALIA PTY LTD 2010-09-23 US disclosed
EP-2114900-A1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF Cytopia Research Pty Ltd (AU) 2009-11-11 EP disclosed
WO-2008092199-A1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF CYTOPIA RESEARCH PTY LTD (AU) 2008-08-07 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 (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 1570/4885ALDH1A1 1850/4885
US-20100239631-A1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF JAK3, JAK1, JAK2 BTK 53/4885EGFR 1570/4885ALDH1A1 1850/4885
US-20140051703-A1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF JAK3, JAK1, JAK2 BTK 53/4885EGFR 1570/4885ALDH1A1 1850/4885

“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.