SCHEMBL13189231

SCHEMBL13189231

C=CC(=O)Nc1ccc(Sc2nc(Nc3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)ncc2C)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.53
ITK Q08881 4/20 0.53
BTK Q06187 8/20 0.46
JAK3 P52333 3/20 0.42
TGM2 P21980 1/20 0.42
JAK2 O60674 1/20 0.41
FLT3 P36888 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ERBB2 P04626 1/20 0.40
TEC P42680 1/20 0.40
TXK P42681 1/20 0.40
BLK P51451 1/20 0.40
BMX P51813 1/20 0.40
ERBB4 Q15303 1/20 0.40

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
SCHEMBL13169946 0.89 EGFR (0.49) EGFRITKBTKJAK3TGM2
SCHEMBL13169906 0.85 EGFR (0.60) EGFRITKBTKJAK3FLT3
SCHEMBL13169911 0.82 EGFR (0.56) EGFRITKBTKJAK3TGM2
SCHEMBL13169831 0.80 EGFR (0.53) EGFRITKBTKJAK3
SCHEMBL13169918 0.80 EGFR (0.63) EGFRITKBTK
SCHEMBL13169901 0.79 EGFR (0.58) EGFRITKBTKJAK3
SCHEMBL13169830 0.79 EGFR (0.59) EGFRITKBTKERBB2BMX
SCHEMBL13169938 0.78 EGFR (0.52) EGFRITKBTKJAK3JAK2
SCHEMBL13169547 0.78 JAK3 (0.61) EGFRITKBTKJAK3JAK2
SCHEMBL13169822 0.78 MAP3K7 (0.62) EGFRBTKJAK3JAK2FLT3

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
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-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

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 EGFR 1570/4885ITK 244/4885BTK 53/4885
US-20100239631-A1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF JAK3, JAK1, JAK2 EGFR 1570/4885ITK 244/4885BTK 53/4885
US-20140051703-A1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF JAK3, JAK1, JAK2 EGFR 1570/4885ITK 244/4885BTK 53/4885

“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.