SCHEMBL164402

SCHEMBL164402

Cn1cc(-n2ccc(=S)c(CCc3ccc4ncccc4c3)n2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 18/20 0.51
KCNH2 Q12809 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
ABL1 P00519 1/20 0.40
NQO2 P16083 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK10 P53779 1/20 0.40
DYRK1A Q13627 1/20 0.40
MAP3K19 Q56UN5 1/20 0.40
PIP4K2C Q8TBX8 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
PDE2A O00408 1/20 0.39
CHRM2 P08172 1/20 0.39
PDE4A P27815 1/20 0.39
PDE1A P54750 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39

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
SCHEMBL164181 0.88 MET (0.53) METKCNH2HRH3
SCHEMBL163972 0.83 PDE10A (0.42) METPDE3BPDE3AABL1NQO2
SCHEMBL2223043 0.81 MET (0.52) METPDE10A
SCHEMBL360685 0.76 MET (0.46) METKCNH2HRH3PDE3BPDE3A
SCHEMBL358734 0.76 MET (0.46) METKCNH2HRH3PDE10A
SCHEMBL369021 0.76 MET (0.39) METDYRK1A
SCHEMBL358990 0.75 MET (0.45) METPDE10A
SCHEMBL369358 0.74 MET (0.43) METPDE3BPDE3AABL1NQO2
SCHEMBL360629 0.74 MET (0.45) METPDE3BPDE3AABL1NQO2
SCHEMBL162668 0.74 MET (0.43) METPDE3BPDE3AABL1NQO2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611450-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-07-10 EP claimed
US-20130158041-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2013-06-20 US claimed
WO-2012030633-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-03-08 WO claimed
EP-2611450-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-07-10 EP disclosed
US-20130158041-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2013-06-20 US disclosed
US-20130158041-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2013-06-20 US disclosed
US-20130158041-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2013-06-20 US disclosed
WO-2012030633-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-03-08 WO disclosed
WO-2012030633-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-03-08 WO 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 (1 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-20130158041-A1 Tyrosine Kinase Inhibitors MET, ABL1, ERBB2 MET 1/4885KCNH2 4158/4885HRH3 2148/4885

“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.