SCHEMBL21929196

SCHEMBL21929196

N#Cc1cccc(-c2c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cncc2-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 4/20 0.44
GABRB3 P28472 4/20 0.44
GABRA5 P31644 4/20 0.44
GABRA3 P34903 4/20 0.44
GABRA1 P14867 1/20 0.44
ALDH1A3 P47895 1/20 0.43
MAP4K4 O95819 1/20 0.41
CLK4 Q9HAZ1 4/20 0.40
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 3/20 0.40
ALDH1A1 P00352 2/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL23098045 0.96 GABRA1 (0.41) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL21928417 0.96 MAP4K4 (0.44) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL21928423 0.95 MAP4K4 (0.41) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL21931702 0.94 MAP4K4 (0.41) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL21928422 0.93 PTGER4 (0.39) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL21928432 0.93 MAP4K4 (0.41) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL21929206 0.93 MAP4K4 (0.41) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL21928374 0.92 CYP1A2 (0.40) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL21929195 0.91 GABRG2 (0.43) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL21928447 0.91 GABRA1 (0.43) GABRG2GABRB3GABRA5GABRA3GABRA1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11849634-B2 Composition of matter for use in organic light- emitting diodes KYULUX, INC. (JP) 2023-12-19 US disclosed
US-20220388960-A1 ORGANIC MOLECULES FOR USE IN LIGHT-EMITTING DEVICES CYNORA GMBH (DE) 2022-12-08 US disclosed
EP-3609978-B1 ORGANIC MOLECULES IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2021-03-17 EP disclosed
US-20200203622-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES KYULUX, INC. (JP) 2020-06-25 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 (4 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 GABRG2 2297/4885GABRB3 1849/4885GABRA5 2492/4885
US-20220388960-A1 ORGANIC MOLECULES FOR USE IN LIGHT-EMITTING DEVICES ALDH1A2, AOX1, CYBA GABRG2 1307/4885GABRB3 1759/4885GABRA5 2390/4885
US-20200203622-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES NDUFV3, NDUFV2, CRY2 GABRG2 2574/4885GABRB3 1948/4885GABRA5 2493/4885
US-11849634-B2 Composition of matter for use in organic light- emitting diodes NDUFV3, NDUFV2, CRY2 GABRG2 2574/4885GABRB3 1948/4885GABRA5 2493/4885

“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.