SCHEMBL21453891

SCHEMBL21453891

CC(C)(C)c1ccc(-n2c3ccccc3c3ccncc32)nc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
KIF11 P52732 2/20 0.35
MAOA P21397 4/20 0.35
MAOB P27338 4/20 0.35
ACHE P22303 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
TRPV1 Q8NER1 4/20 0.34
TOP2A P11388 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
KDR P35968 1/20 0.34
CYP2D6 P10635 1/20 0.33
IDO1 P14902 1/20 0.33
MAPT P10636 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
SCHEMBL21453895 0.92 MAOA (0.43) MKNK1MKNK2KIF11MAOAMAOB
SCHEMBL23011291 0.90 KDM4E (0.37) KIF11MAPT
SCHEMBL16644612 0.82 AOC3 (0.41) MKNK1MKNK2MAOAMAOBACHE
SCHEMBL16640320 0.78 MKNK1 (0.35) MKNK1MKNK2MAOAMAOBACHE
SCHEMBL24848467 0.78 MKNK1 (0.35) MKNK1MKNK2PTGDR2TRPV1KDR
SCHEMBL25523675 0.77 MKNK1 (0.32) MKNK1MKNK2PTGDR2TRPV1TOP2A
SCHEMBL21453890 0.76 UQCRB (0.37) KIF11MAPT
SCHEMBL25562816 0.73 HSD17B1 (0.36) KIF11MAPT
SCHEMBL16644610 0.73 MAOA (0.50) MKNK1MKNK2MAOAMAOBACHE
SCHEMBL20348119 0.73 MKNK1 (0.44) MKNK1MKNK2MAOAMAOBACHE

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-20190312210-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-10-10 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 (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-20190312210-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLCO4C1, SLCO2A1, SLCO1A2 MKNK1 4191/4885MKNK2 4445/4885KIF11 2285/4885

“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.