SCHEMBL21758359

SCHEMBL21758359

N#Cc1ccc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-c2ncccc2-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 1/20 0.36
CYP11B2 P19099 3/20 0.36
CYP11B1 P15538 2/20 0.36
CYP17A1 P05093 1/20 0.36
TDO2 P48775 2/20 0.35
CLK4 Q9HAZ1 1/20 0.35
GRM5 P41594 2/20 0.34
ALDH1A3 P47895 2/20 0.34
KCNN4 O15554 1/20 0.34
KCNA5 P22460 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
CYP19A1 P11511 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33

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
SCHEMBL21758351 0.97 TDO2 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21758511 0.95 MAP4K4 (0.36) CYP11B2CYP11B1CYP17A1TDO2CLK4
SCHEMBL21758517 0.94 TDO2 (0.38) CYP11B2CYP11B1CYP17A1TDO2DDB1
SCHEMBL21758238 0.93 CLK4 (0.43) TDO2CLK4GRM5ALDH1A3KCNN4
SCHEMBL21758731 0.92 ABCG2 (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21758237 0.92 TDO2 (0.40) TDO2CLK4GRM5ALDH1A3KCNN4
SCHEMBL21758514 0.91 GRM5 (0.35) CYP11B2CYP11B1CYP17A1TDO2CLK4
SCHEMBL23347954 0.90 ABCG2 (0.39) CYP11B2TDO2CLK4ALDH1A3
SCHEMBL21758233 0.90 PTGER4 (0.37) TDO2DDB1CRBNEGLN1
SCHEMBL21758230 0.90 DDB1 (0.40) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3638749-B1 ORGANIC MOLECULE, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2021-05-19 EP disclosed
US-20200062734-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-02-27 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 (1 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-20200062734-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OXER1, OR10J3, OXGR1 GABRA1 3163/4885GABRG2 3020/4885GABRB3 2828/4885

“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.