SCHEMBL13274697

SCHEMBL13274697

Cn1cc(-n2ccc(=O)c(Cc3cccc(NC(=O)OCC(F)F)c3)n2)cn1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.39
MET P08581 8/20 0.35
ELANE P08246 1/20 0.34
JAK3 P52333 2/20 0.34
JAK1 P23458 1/20 0.34
GPR142 Q7Z601 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.33
FSCN1 Q16658 1/20 0.33

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
SCHEMBL13465695 0.93 PARP1 (0.38) PARP1METELANEJAK3JAK1
SCHEMBL13449288 0.92 PARP1 (0.40) PARP1ELANEJAK3JAK1GPR142
SCHEMBL13274794 0.90 PARP1 (0.40) PARP1METELANEJAK3JAK1
SCHEMBL13465435 0.90 PARP1 (0.49) PARP1METJAK3JAK1SIRT2
SCHEMBL13465742 0.90 PARP1 (0.37) PARP1METELANEJAK3JAK1
SCHEMBL13275106 0.89 PARP1 (0.40) PARP1MET
SCHEMBL13465736 0.89 MGLL (0.45) PARP1ELANE
SCHEMBL13465733 0.89 MET (0.40) PARP1METJAK3JAK1SIRT2
SCHEMBL13275115 0.88 PARP1 (0.39) PARP1METELANEJAK3JAK1
SCHEMBL13465493 0.88 PARP1 (0.40) PARP1METJAK3JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 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 (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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 PARP1 2307/4885MET 2/4885ELANE 3766/4885

“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.