SCHEMBL12307189

SCHEMBL12307189

CCCCCCN1c2ccccc2Sc2cc(-c3ccc4cc5sc6c7cc8cc(/C=c9/s/c(=C(\C#N)C(=O)O)n(CC(=O)O)c9=O)ccc8cc7sc6c5cc4c3)ccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 1/20 0.35
▸ RPS6KB1 P23443 1/20 0.35
▸ MARK3 P27448 1/20 0.35
▸ FLT4 P35916 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ NEK2 P51955 1/20 0.35
▸ PLK1 P53350 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ MARK2 Q7KZI7 1/20 0.35
▸ PLK3 Q9H4B4 1/20 0.35
▸ SGK2 Q9HBY8 1/20 0.35
▸ RECQL P46063 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ KMT2A Q03164 4/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ PDF Q9HBH1 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ APP P05067 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
SCHEMBL12307208 0.89 CHEK2 (0.34) CHEK2RPS6KB1MARK3FLT4KDR
SCHEMBL16556883 0.85 CHEK2 (0.35) CHEK2RPS6KB1MARK3FLT4KDR
SCHEMBL12307156 0.83 PLK1 (0.40) CHEK2RPS6KB1MARK3FLT4KDR
SCHEMBL12307185 0.82 PDF (0.37) PDFALDH1A1KDM4ETP53MAPK1
SCHEMBL12335531 0.81 CHEK2 (0.33) CHEK2RPS6KB1MARK3FLT4KDR
SCHEMBL16556957 0.79 CHEK2 (0.31) CHEK2RPS6KB1MARK3FLT4KDR
SCHEMBL12307019 0.78 PLK1 (0.43) CHEK2RPS6KB1MARK3FLT4KDR
SCHEMBL16556948 0.77 PLK1 (0.35) CHEK2RPS6KB1MARK3FLT4KDR
SCHEMBL16556947 0.77 PLK1 (0.35) CHEK2RPS6KB1MARK3FLT4KDR
SCHEMBL16556946 0.77 PLK1 (0.35) CHEK2RPS6KB1MARK3FLT4KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9424998-B2 Dye, photoelectric conversion element using the same, photoelectrochemical cell, and method of producing dye FUJIFILM CORPORATION (JP) 2016-08-23 — — US disclosed
EP-2845882-A2 Dye, Photoelectric Conversion Element and Photoelectrochemical Cell Fujifilm Corporation (JP) 2015-03-11 — — EP disclosed
US-8779126-B2 Dye, photoelectric conversion element using the same, photoelectrochemical cell, and method of producing dye FUJIFILM CORPORATION (JP) 2014-07-15 — — US disclosed
US-20110213144-A1 DYE, PHOTOELECTRIC CONVERSION ELEMENT USING THE SAME, PHOTOELECTROCHEMICAL CELL, AND METHOD OF PRODUCING DYE FUJIFILM CORPORATION (JP) 2011-09-01 — — 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-20110213144-A1 DYE, PHOTOELECTRIC CONVERSION ELEMENT USING THE SAME, PHOTOELECTROCHEMICAL CELL, AND METHOD OF PRODUCING DYE CYBA, SCN3A, CRY1 CHEK2 2769/4885RPS6KB1 2931/4885MARK3 898/4885

“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.

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