SCHEMBL21547032

SCHEMBL21547032

N#Cc1cccc(-c2c(-n3c4cc(-c5ccnc(-c6ccccc6)c5)ccc4c4ccc(-c5ccnc(-c6ccccc6)c5)cc43)cc(C#N)cc2-n2c3cc(-c4ccnc(-c5ccccc5)c4)ccc3c3ccc(-c4ccnc(-c5ccccc5)c4)cc32)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA5 P31644 2/20 0.44
GABRA3 P34903 2/20 0.44
GABRA1 P14867 1/20 0.44
ALDH1A3 P47895 1/20 0.42
TGFBR1 P36897 1/20 0.39
CLK4 Q9HAZ1 2/20 0.39
GRM5 P41594 8/20 0.38
USP30 Q70CQ3 1/20 0.38
MAP4K4 O95819 1/20 0.37
TDO2 P48775 1/20 0.36
ASIC3 Q9UHC3 1/20 0.36
WNT3A P56704 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
USP2 O75604 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
SCHEMBL22760603 0.93 GABRG2 (0.44) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL21547033 0.92 GABRG2 (0.42) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL21928964 0.92 GABRG2 (0.45) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL22760602 0.91 ALDH1A3 (0.38) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL21546703 0.90 GABRG2 (0.39) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL21928989 0.89 GABRG2 (0.42) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL21546581 0.88 ALDH1A3 (0.41) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL22156408 0.88 PGR (0.39) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL22760936 0.87 GABRG2 (0.44) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL21546746 0.86 MAP4K4 (0.40) 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-10981930-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-04-20 US disclosed
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-12-10 US disclosed
EP-3478793-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-11-06 EP 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-10981930-B2 Organic molecules for use in optoelectronic devices OR10J3, OR51E2, EPCAM GABRG2 1767/4885GABRB3 1915/4885GABRA5 3467/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM GABRG2 1767/4885GABRB3 1915/4885GABRA5 3467/4885

“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.