SCHEMBL255608

SCHEMBL255608

Cn1cc(-n2ccc(=S)c(Cc3cccc(N)c3)n2)cn1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.36
ENPP2 Q13822 1/20 0.34
PARP1 P09874 1/20 0.34
FYN P06241 1/20 0.34
MET P08581 1/20 0.34
BPTF Q12830 1/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
AURKB Q96GD4 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
AXL P30530 2/20 0.31
MERTK Q12866 1/20 0.31
ENPP1 P22413 1/20 0.31
SIGMAR1 Q99720 2/20 0.31

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
SCHEMBL173258 0.87 PARP1 (0.38) ALKENPP2PARP1FYNMET
SCHEMBL12474197 0.81 ENPP2 (0.40) ALKENPP2PARP1MET
SCHEMBL164341 0.79 MET (0.38) ENPP2FYNMET
SCHEMBL173429 0.78 BRD4 (0.34) ENPP2FYNMET
SCHEMBL15041958 0.78 PARP1 (0.33) PARP1CYP11B1CYP11B2
SCHEMBL161006 0.77 PARP1 (0.33) PARP1CYP11B1CYP11B2SIGMAR1
SCHEMBL174002 0.76 MET (0.42) MET
SCHEMBL255634 0.76 GRM5 (0.46) CYP11B1CYP11B2
SCHEMBL174247 0.75 ENPP2 (0.34) ENPP2FYNMET
SCHEMBL10171567 0.75 MET (0.38) PARP1MET

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 6 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 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 ALK 43/4885ENPP2 1182/4885PARP1 2443/4885

“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.