SCHEMBL22402530

SCHEMBL22402530

CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3cccc4nsnc34)cc21

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 10/20 0.34
▸ MAPT P10636 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ PTPN11 Q06124 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MMP2 P08253 2/20 0.30
▸ MMP9 P14780 2/20 0.30
▸ MMP8 P22894 2/20 0.30
▸ MMP13 P45452 2/20 0.30

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
SCHEMBL16019308 1.00 PDK2 (0.34) PDK2MAPTKDM4EHIF1AHSD17B10
SCHEMBL22402534 0.92 PDK2 (0.37) PDK2PTPN11MMP2MMP9MMP8
SCHEMBL5354304 0.92 PDK2 (0.37) PDK2PTPN11MMP2MMP9MMP8
SCHEMBL25444633 0.92 PDK2 (0.37) PDK2PTPN11MMP2MMP9MMP8
SCHEMBL25444635 0.92 PDK2 (0.37) PDK2PTPN11MMP2MMP9MMP8
SCHEMBL14191692 0.92 ALDH1A1 (0.34) PDK2MAPTKDM4EHSD17B10MEN1
SCHEMBL22402512 0.91 PDK2 (0.37) PDK2PTPN11MMP2MMP9MMP8
SCHEMBL25444697 0.91 PDK2 (0.37) PDK2PTPN11
SCHEMBL16544438 0.91 PDK2 (0.34) PDK2MAPTKDM4EHIF1AHSD17B10
SCHEMBL5527019 0.91 PDK2 (0.37) PDK2PTPN11

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-20230039657-A1 DETECTION METHOD UNIV QUEENSLAND (AU) 2023-02-09 — — US disclosed
US-20200284728-A1 DETECTION METHOD THE UNIVERSITY OF QUEENSLAND (AU) 2020-09-10 — — 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 (2 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-20230039657-A1 DETECTION METHOD OPRK1, OPRM1, SIGMAR1 PDK2 3509/4885MAPT 1302/4885KDM4E 4142/4885
US-20200284728-A1 DETECTION METHOD OPRK1, OPRM1, SIGMAR1 PDK2 3509/4885MAPT 1302/4885KDM4E 4142/4885

“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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