SCHEMBL13169984

SCHEMBL13169984

Nc1ccc(Sc2nc(Nc3ccc(N4CCOCC4)cc3)ncc2Cl)cc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 13/20 0.66
PKMYT1 Q99640 1/20 0.55
SYK P43405 1/20 0.54
CCNK O75909 1/20 0.53
CCNA2 P20248 1/20 0.53
CDK2 P24941 1/20 0.53
CCND3 P30281 1/20 0.53
CDK9 P50750 1/20 0.53
CDK6 Q00534 1/20 0.53
BRD4 O60885 1/20 0.52
MAPK8 P45983 1/20 0.52
MAPK9 P45984 1/20 0.52
MAPK10 P53779 1/20 0.52
LRRK2 Q5S007 1/20 0.51
IGF1R P08069 1/20 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
SCHEMBL13169969 0.88 PLK4 (0.66) PLK4SYKIGF1R
SCHEMBL13169968 0.88 PLK4 (0.66) PLK4SYKIGF1R
SCHEMBL13169878 0.88 PLK4 (0.66) PLK4SYKCDK2IGF1R
SCHEMBL13169549 0.88 PLK4 (0.66) PLK4SYKCCNKCCNA2CDK2
SCHEMBL13169890 0.86 PLK4 (0.64) PLK4PKMYT1SYKIGF1R
SCHEMBL13169889 0.85 PLK4 (0.63) PLK4SYKIGF1R
SCHEMBL13169886 0.85 PLK4 (0.63) PLK4SYKCCND3IGF1R
SCHEMBL13169986 0.85 PLK4 (0.63) PLK4PKMYT1SYKCDK2LRRK2
SCHEMBL13169970 0.84 PLK4 (0.64) PLK4SYKIGF1R
SCHEMBL13170043 0.83 MAP3K7 (0.54) PLK4PKMYT1CCNKCCNA2CDK2

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 875/4885SYK 252/4885
US-20100239631-A1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF JAK3, JAK1, JAK2 PLK4 533/4885PKMYT1 875/4885SYK 252/4885
US-20140051703-A1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF JAK3, JAK1, JAK2 PLK4 533/4885PKMYT1 875/4885SYK 252/4885

“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.