SCHEMBL22158292

SCHEMBL22158292

CC(C)(C)c1ccc2c3ccc(C(C)(C)C)cc3n(-c3cc(-c4c(F)cccc4F)c(-n4c5cc(C(C)(C)C)ccc5c5ccc(C(C)(C)C)cc54)cc3C#N)c2c1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
JAK2 O60674 2/20 0.32
BTK Q06187 1/20 0.32
KIF11 P52732 1/20 0.31
MAP4K1 Q92918 1/20 0.31
TYK2 P29597 1/20 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
SCHEMBL22156540 0.97 KIF11 (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL22156519 0.92 MAP4K1 (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL22158300 0.92 GABRA1 (0.32) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL22158293 0.91 AR (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL22157150 0.90 KIF11 (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL22156584 0.85 PDE9A (0.34) MAP4K1
SCHEMBL22156518 0.84 AR (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21898693 0.84 KIF11 (0.38) KIF11
SCHEMBL22156522 0.84 MAP4K1 (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL22157297 0.81 KIF11 (0.35) KIF11

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-20200203628-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-06-25 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-20200203628-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, OR51E2 GABRA1 3061/4885GABRG2 2454/4885GABRB3 1289/4885

“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.