SCHEMBL21928384

SCHEMBL21928384

N#Cc1cccc(-c2cc(-n3c4ccccc4c4ccc(-c5ccccc5)cc43)ncc2-n2c3ccccc3c3ccc(-c4ccccc4)cc32)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.39
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA1 P14867 1/20 0.38
ALDH1A3 P47895 1/20 0.37
CSF1R P07333 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
TSHR P16473 2/20 0.36
PLG P00747 1/20 0.36
PLAU P00749 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAP4K4 O95819 1/20 0.36
ADORA2A P29274 1/20 0.36
TDO2 P48775 1/20 0.36
NTRK1 P04629 2/20 0.36
PIK3CA P42336 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
SCHEMBL21929200 0.98 GRM5 (0.40) GRM5GABRG2GABRB3GABRA5GABRA3
SCHEMBL21928540 0.97 GRM5 (0.38) GRM5GABRG2GABRB3GABRA5GABRA3
SCHEMBL21928385 0.97 GRM5 (0.41) GRM5GABRG2GABRB3GABRA5GABRA3
SCHEMBL21929215 0.95 GRM5 (0.38) GRM5GABRG2GABRB3GABRA5GABRA3
SCHEMBL21931683 0.94 GRM5 (0.36) GRM5ALDH1A3CYP1A2CYP3A4CYP2D6
SCHEMBL21928411 0.94 GRM5 (0.39) GRM5GABRG2GABRB3GABRA5GABRA3
SCHEMBL21928388 0.94 GRM5 (0.39) GRM5GABRG2GABRB3GABRA5GABRA3
SCHEMBL21931692 0.94 GRM5 (0.40) GRM5GABRG2GABRB3GABRA5GABRA3
SCHEMBL21928539 0.93 GRM5 (0.38) GRM5CYP1A2CYP3A4CYP2D6PLG
SCHEMBL20769875 0.92 GRM5 (0.41) GRM5GABRG2GABRB3GABRA5GABRA3

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 GRM5 2003/4885GABRG2 2297/4885GABRB3 1849/4885
US-20220388960-A1 ORGANIC MOLECULES FOR USE IN LIGHT-EMITTING DEVICES ALDH1A2, AOX1, CYBA GRM5 2961/4885GABRG2 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.