SCHEMBL21928964

SCHEMBL21928964

N#Cc1cccc(-c2c(-n3c4cc(-c5ccnc(-c6ccccc6)c5)ccc4c4ccc(-c5ccnc(-c6ccccc6)c5)cc43)cncc2-n2c3cc(-c4ccnc(-c5ccccc5)c4)ccc3c3ccc(-c4ccnc(-c5ccccc5)c4)cc32)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 4/20 0.45
GABRB3 P28472 4/20 0.45
GABRA5 P31644 4/20 0.45
GABRA3 P34903 4/20 0.45
GABRA1 P14867 1/20 0.45
ALDH1A3 P47895 1/20 0.41
TGFBR1 P36897 1/20 0.40
USP30 Q70CQ3 1/20 0.38
GRM5 P41594 5/20 0.38
CLK4 Q9HAZ1 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
WNT3A P56704 1/20 0.37
RAF1 P04049 1/20 0.37
BRAF P15056 1/20 0.37
IDO1 P14902 1/20 0.36
GRIN1 Q05586 1/20 0.36

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
SCHEMBL21928989 0.97 GABRG2 (0.42) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL21928963 0.93 GABRG2 (0.46) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL21928965 0.92 GABRG2 (0.43) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL24739646 0.92 TGFBR1 (0.46) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL21547032 0.92 GABRG2 (0.44) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL21929195 0.89 GABRG2 (0.43) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL21929064 0.89 TGFBR1 (0.44) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL21928988 0.89 GABRG2 (0.43) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL21928623 0.88 TGFBR1 (0.44) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL21931704 0.88 IDO1 (0.42) 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 3 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
EP-3609978-B1 ORGANIC MOLECULES IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2021-03-17 EP 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 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

“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.