SCHEMBL21929299

SCHEMBL21929299

Cc1cccc(-c2ccc3c4ccccc4n(-c4cc(-c5ccccc5C#N)c(-n5c6ccccc6c6ccc(-c7cccc(C)c7)cc65)cn4)c3c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.40
GABRG2 P18507 4/20 0.40
GABRB3 P28472 4/20 0.40
GABRA2 P47869 4/20 0.40
GABRA5 P31644 2/20 0.40
GABRA3 P34903 2/20 0.40
IMPDH2 P12268 1/20 0.37
ALDH1A1 P00352 3/20 0.36
CYP1A2 P05177 3/20 0.36
CYP3A4 P08684 3/20 0.36
HSD17B10 Q99714 3/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
AR P10275 1/20 0.35
LRRK2 Q5S007 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 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
SCHEMBL21929073 0.97 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRA2GABRA5
SCHEMBL21929075 0.95 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRA2GABRA5
SCHEMBL21928637 0.93 GRIN1 (0.39) GABRA1GABRG2GABRB3GABRA2GABRA5
SCHEMBL21929035 0.92 GABRA1 (0.35) GABRA1GABRG2GABRB3GABRA2GABRA5
SCHEMBL21929080 0.92 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRA2GABRA5
SCHEMBL23098117 0.92 GABRA1 (0.36) GABRA1GABRG2GABRB3GABRA2GABRA5
SCHEMBL21929061 0.91 ALDH1A1 (0.36) GABRA1GABRG2GABRB3GABRA2GABRA5
SCHEMBL21928629 0.90 GRIN1 (0.41) GABRA1GABRG2GABRB3GABRA2GABRA5
SCHEMBL21929058 0.90 GABRA1 (0.37) GABRA1GABRG2GABRB3GABRA2GABRA5
SCHEMBL21929033 0.89 GABRA1 (0.36) GABRA1GABRG2GABRB3GABRA2GABRA5

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-20220388960-A1 ORGANIC MOLECULES FOR USE IN LIGHT-EMITTING DEVICES CYNORA GMBH (DE) 2022-12-08 US disclosed
US-20200136054-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-04-30 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-20200136054-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, OGFR, OR51E2 GABRA1 2684/4885GABRG2 2297/4885GABRB3 1849/4885
US-20220388960-A1 ORGANIC MOLECULES FOR USE IN LIGHT-EMITTING DEVICES ALDH1A2, AOX1, CYBA GABRA1 1888/4885GABRG2 1307/4885GABRB3 1759/4885

“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.