SCHEMBL13169978

SCHEMBL13169978

C=CC(=O)Nc1ccc(Sc2nc(Nc3ccc(N4CCOCC4)cc3)ncc2Cl)cc1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 4/20 0.70
BTK Q06187 5/20 0.65
JAK2 O60674 3/20 0.62
JAK1 P23458 3/20 0.62
MAP3K7 O43318 3/20 0.62
MAP2K1 Q02750 3/20 0.62
TTK P33981 1/20 0.62
TYK2 P29597 2/20 0.61
EGFR P00533 8/20 0.60
FLT3 P36888 2/20 0.60
BLK P51451 2/20 0.60
MAPK1 P28482 2/20 0.55
FGFR1 P11362 1/20 0.54
SRC P12931 1/20 0.54

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
SCHEMBL13169963 0.89 JAK3 (0.61) JAK3BTKJAK2JAK1MAP3K7
SCHEMBL13169977 0.89 JAK3 (0.61) JAK3BTKJAK2JAK1MAP3K7
SCHEMBL13169547 0.89 JAK3 (0.61) JAK3BTKJAK2JAK1MAP3K7
SCHEMBL13169884 0.89 JAK3 (0.61) JAK3BTKJAK2JAK1MAP3K7
SCHEMBL13169965 0.86 BTK (0.59) JAK3BTKJAK2JAK1MAP3K7
SCHEMBL13170043 0.86 MAP3K7 (0.54) JAK3JAK2MAP3K7MAP2K1EGFR
SCHEMBL15467021 0.83 JAK3 (0.53) JAK3BTKJAK2JAK1MAP3K7
SCHEMBL13169984 0.83 PLK4 (0.66)
SCHEMBL3698348 0.83 JAK3 (0.72) JAK3JAK2JAK1TYK2EGFR
SCHEMBL17209772 0.82 JAK3 (1.00) JAK3BTKJAK2JAK1TTK

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 JAK3 1/4885BTK 53/4885JAK2 3/4885
US-20100239631-A1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF JAK3, JAK1, JAK2 JAK3 1/4885BTK 53/4885JAK2 3/4885
US-20140051703-A1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF JAK3, JAK1, JAK2 JAK3 1/4885BTK 53/4885JAK2 3/4885

“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.