SCHEMBL13169506

SCHEMBL13169506

C=CC(=O)Nc1ccc(Sc2ccnc(Nc3ccc(N4CCS(=O)(=O)CC4)cc3)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.57
JAK1 P23458 2/20 0.57
TYK2 P29597 2/20 0.57
JAK3 P52333 2/20 0.57
PLK4 O00444 13/20 0.55
EGFR P00533 3/20 0.51
MAP3K7 O43318 1/20 0.51
MAP2K1 Q02750 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
FLT3 P36888 1/20 0.47
BLK P51451 1/20 0.47

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
SCHEMBL13169820 0.90 EGFR (0.63) JAK2JAK1TYK2JAK3PLK4
SCHEMBL3698348 0.89 JAK3 (0.72) JAK2JAK1TYK2JAK3PLK4
SCHEMBL13169487 0.85 JAK2 (0.54) JAK2JAK1TYK2JAK3PLK4
SCHEMBL13169948 0.83 MAP3K7 (0.53) JAK2JAK1TYK2JAK3EGFR
SCHEMBL13170050 0.81 PLK4 (0.61) JAK2JAK1TYK2JAK3PLK4
SCHEMBL13169893 0.81 PLK4 (0.49) JAK2JAK1TYK2JAK3PLK4
SCHEMBL13170055 0.81 PLK4 (0.54) JAK2JAK1TYK2JAK3PLK4
SCHEMBL13170061 0.81 PLK4 (0.58) JAK2JAK1TYK2JAK3PLK4
SCHEMBL13169473 0.81 PLK4 (0.70) JAK2JAK1TYK2JAK3PLK4
SCHEMBL13170072 0.80 TGM2 (0.53) JAK2JAK1TYK2JAK3PLK4

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 7 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-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-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 JAK2 3/4885JAK1 2/4885TYK2 7/4885
US-20100239631-A1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF JAK3, JAK1, JAK2 JAK2 3/4885JAK1 2/4885TYK2 7/4885
US-20140051703-A1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF JAK3, JAK1, JAK2 JAK2 3/4885JAK1 2/4885TYK2 7/4885

“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.