SCHEMBL13169986

SCHEMBL13169986

COc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1Sc1ccc(N)cc1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 11/20 0.63
PKMYT1 Q99640 2/20 0.56
CDK1 P06493 2/20 0.54
CDK4 P11802 2/20 0.54
CCNB1 P14635 2/20 0.54
CCND1 P24385 2/20 0.54
CCNE1 P24864 2/20 0.54
CDK2 P24941 2/20 0.54
JAK2 O60674 3/20 0.52
SYK P43405 1/20 0.51
LRRK2 Q5S007 1/20 0.51
JAK3 P52333 2/20 0.50

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
SCHEMBL13169549 0.87 PLK4 (0.66) PLK4CDK2JAK2SYKJAK3
SCHEMBL13169969 0.85 PLK4 (0.66) PLK4SYK
SCHEMBL13169984 0.85 PLK4 (0.66) PLK4PKMYT1CDK2SYKLRRK2
SCHEMBL13169878 0.85 PLK4 (0.66) PLK4CDK2JAK2SYK
SCHEMBL13169968 0.85 PLK4 (0.66) PLK4SYK
SCHEMBL13169890 0.83 PLK4 (0.64) PLK4PKMYT1SYK
SCHEMBL13169889 0.82 PLK4 (0.63) PLK4SYK
SCHEMBL13169886 0.82 PLK4 (0.63) PLK4CDK4JAK2SYK
SCHEMBL13169972 0.82 PLK4 (0.58) PLK4SYK
SCHEMBL15466739 0.82 JAK2 (0.50) PLK4PKMYT1CDK1CDK4CCNB1

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 PLK4 533/4885PKMYT1 875/4885CDK1 168/4885
US-20100239631-A1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF JAK3, JAK1, JAK2 PLK4 533/4885PKMYT1 875/4885CDK1 168/4885
US-20140051703-A1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF JAK3, JAK1, JAK2 PLK4 533/4885PKMYT1 875/4885CDK1 168/4885

“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.