SCHEMBL22822339

SCHEMBL22822339

Cc1cc(C#N)cc(-c2c(-n3c4ccccc4c4cc(C(C)(C)C)ccc43)cc(C#N)cc2-n2c3ccccc3c3cc(C(C)(C)C)ccc32)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 8/20 0.35
GRM5 P41594 3/20 0.34
KIF11 P52732 2/20 0.34
PTGER4 P35408 1/20 0.33
PDE9A O76083 1/20 0.32
PDE1C Q14123 1/20 0.32
PGR P06401 1/20 0.32
RORA P35398 1/20 0.32
RORB Q92753 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CNR2 P34972 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
SCHEMBL21414232 0.93 KIF11 (0.37) RORCKIF11PTGER4PGRRORA
SCHEMBL19912463 0.91 KIF11 (0.34) RORCKIF11PTGER4PDE9APDE1C
SCHEMBL21546697 0.89 PTPN5 (0.37) RORCKIF11PTGER4PGRRORA
SCHEMBL22822635 0.89 GRM5 (0.37) RORCGRM5PTGER4PDE9APDE1C
SCHEMBL22564465 0.88 KIF11 (0.37) RORCKIF11PGRRORARORB
SCHEMBL21414230 0.87 KIF11 (0.36) RORCKIF11PTGER4
SCHEMBL22155887 0.87 RORC (0.35) RORCKIF11PTGER4PGRRORA
SCHEMBL19903636 0.86 KIF11 (0.37) RORCKIF11PGRRORARORB
SCHEMBL19912466 0.86 KIF11 (0.39) RORCGRM5KIF11
SCHEMBL19912348 0.85 PDE9A (0.37) RORCGRM5PTGER4PDE9APDE1C

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-11021473-B2 Organic molecules for use in organic optoelectronic devices CYNORA GMBH (DE) 2021-06-01 US disclosed
US-20200399256-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-12-24 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-11021473-B2 Organic molecules for use in organic optoelectronic devices OR10J3, OR51E2, OCIAD2 RORC 1745/4885GRM5 3787/4885KIF11 2841/4885
US-20200399256-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 RORC 2614/4885GRM5 3775/4885KIF11 4320/4885

“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.