SCHEMBL21742874

SCHEMBL21742874

Cc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(-c3cccc4oc5ccccc5c34)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 6/20 0.39
MAOB P27338 3/20 0.37
TNKS O95271 1/20 0.37
PARP1 P09874 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
ALOX5 P09917 1/20 0.36
KDR P35968 2/20 0.35
CHEK1 O14757 1/20 0.35
MAP4K4 O95819 1/20 0.35
ABL1 P00519 1/20 0.35
NTRK1 P04629 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
CSF1R P07333 1/20 0.35
MET P08581 1/20 0.35
PDGFRB P09619 1/20 0.35
PIM1 P11309 1/20 0.35
FGFR1 P11362 1/20 0.35
PDGFRA P16234 1/20 0.35

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
SCHEMBL21742870 1.00 PDK2 (0.39) PDK2MAOBTNKSPARP1TNKS2
SCHEMBL19011141 0.89 MAOB (0.38) PDK2MAOBTNKSPARP1TNKS2
SCHEMBL21742875 0.87 PDK2 (0.38) PDK2MAOBTNKSPARP1TNKS2
SCHEMBL21742871 0.87 PDK2 (0.38) PDK2MAOBTNKSPARP1TNKS2
SCHEMBL9917134 0.86 ALOX5 (0.52) PDK2MAOBTNKSPARP1TNKS2
SCHEMBL21742672 0.86 ALOX5 (0.52) PDK2MAOBTNKSPARP1TNKS2
SCHEMBL17523465 0.86 PDK2 (0.41) PDK2MAOBTNKSPARP1TNKS2
SCHEMBL9917128 0.86 PDK2 (0.41) PDK2MAOBTNKSPARP1TNKS2
SCHEMBL21742673 0.86 PDK2 (0.41) PDK2MAOBTNKSPARP1TNKS2
SCHEMBL18156667 0.85 PDK2 (0.40) PDK2MAOBTNKSPARP1TNKS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200055822-A1 MATERIALS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-02-20 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-20200055822-A1 MATERIALS FOR ORGANIC ELECTRONIC DEVICES PNMT, DDT, TYR PDK2 602/4885MAOB 19/4885TNKS 1748/4885

“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.