SCHEMBL22891733

SCHEMBL22891733

c1ccc(-c2ccc(Nc3ccc4c(c3)Sc3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.40
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
AR P10275 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 2/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
ALOX12 P18054 1/20 0.32
PTGS1 P23219 1/20 0.32
SLC6A2 P23975 1/20 0.32
MAPK1 P28482 1/20 0.32
PTGS2 P35354 1/20 0.32
HTR2B P41595 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
STK10 O94804 1/20 0.32

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
SCHEMBL22891740 0.93 PDK2 (0.42) PDK2ALDH1A1MEN1KMT2AAR
SCHEMBL22589581 0.93 PDK2 (0.46) PDK2ALDH1A1MEN1KMT2AAR
SCHEMBL24723585 0.92 PDK2 (0.39) PDK2ALDH1A1MEN1KMT2AAR
SCHEMBL23637457 0.92 PDK2 (0.43) PDK2ALDH1A1MEN1KMT2AAR
SCHEMBL29292807 0.90 PDK2 (0.37) PDK2MEN1KMT2AMAPT
SCHEMBL22891717 0.87 PDK2 (0.46) PDK2ALDH1A1MEN1KMT2AAR
SCHEMBL22891732 0.87 PDK2 (0.40) PDK2ALDH1A1MEN1KMT2AAR
SCHEMBL24723597 0.86 PDK2 (0.40) PDK2ALDH1A1MEN1KMT2AAR
SCHEMBL24724160 0.85 PIM3 (0.33) PDK2
SCHEMBL22891473 0.85 PDK2 (0.49) PDK2ALDH1A1MEN1KMT2AAR

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-20210013420-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2021-01-14 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-20210013420-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME, AND ELECTRONIC DEVICE THEREOF PIEZO1, ORAI2, OR10J3 PDK2 2546/4885ALDH1A1 1135/4885MEN1 495/4885

“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.