SCHEMBL21453328

SCHEMBL21453328

CC(C)(C)Cc1ccc2c(c1)c1ncccc1n2-c1ccncn1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.39
RPS6KA5 O75582 1/20 0.37
RORC P51449 1/20 0.33
CYP17A1 P05093 1/20 0.32
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
MAPK14 Q16539 1/20 0.31
LCK P06239 1/20 0.31
SCN9A Q15858 1/20 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
SCHEMBL21453321 0.87 FFAR4 (0.36) RORCMAPK14
SCHEMBL21453322 0.85 RORC (0.34) RORCMAPK14
SCHEMBL21453324 0.83 RORC (0.36) RORC
SCHEMBL21453320 0.83 RORC (0.33) RORC
SCHEMBL21453326 0.81 CYP1A2 (0.41) RORCMAPK14
SCHEMBL17993426 0.68 PTGDR2 (0.56) PTGDR2RPS6KA5CYP17A1MKNK1MKNK2
SCHEMBL21453571 0.68 PTGDR2 (0.35) PTGDR2RPS6KA5
SCHEMBL21453318 0.67 CYP1A2 (0.41) MAPK14
SCHEMBL19864888 0.67 RORC (0.35) RORCMKNK1MKNK2MAPK14
SCHEMBL19862095 0.66 ALDH1A1 (0.40) MAPK14

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 PTGDR2 3487/4885RPS6KA5 3905/4885RORC 3456/4885

“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.