SCHEMBL21928447

SCHEMBL21928447

N#Cc1ccc(-c2c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cncc2-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
CYP11B2 P19099 4/20 0.42
CYP11B1 P15538 3/20 0.39
ALDH1A3 P47895 1/20 0.38
PGR P06401 1/20 0.38
CHEK1 O14757 1/20 0.37
CYP17A1 P05093 1/20 0.37
MAP4K4 O95819 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
MYC P01106 1/20 0.36
CSF1R P07333 2/20 0.35
SLC22A12 Q96S37 1/20 0.35
AR P10275 2/20 0.34
PLAU P00749 1/20 0.34

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
SCHEMBL21931773 0.96 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21928631 0.95 PGR (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21928635 0.94 PTGER4 (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL22126457 0.93 SLC22A12 (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21928423 0.91 MAP4K4 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21928432 0.91 MAP4K4 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21929196 0.91 GABRG2 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21931768 0.90 ABCG2 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21931767 0.90 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL24738580 0.89 PTGER4 (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3

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 6 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
CN-111051471-A Composition for use in organic light emitting diodes 九州有机光材股份有限公司 2020-04-21 CN 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 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
US-20200203622-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES NDUFV3, NDUFV2, CRY2 GABRA1 3224/4885GABRG2 2574/4885GABRB3 1948/4885
US-11849634-B2 Composition of matter for use in organic light- emitting diodes NDUFV3, NDUFV2, CRY2 GABRA1 3224/4885GABRG2 2574/4885GABRB3 1948/4885

“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.