SCHEMBL21758520

SCHEMBL21758520

N#Cc1cc(C#N)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)cc2-c2ncccc2-n2c3ccccc3c3cc(-c4cc(C#N)cc(C#N)c4)ccc32)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.35
PTGER4 P35408 2/20 0.35
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
TDO2 P48775 2/20 0.33
CLK4 Q9HAZ1 1/20 0.32
MAP4K4 O95819 2/20 0.32
HRH1 P35367 1/20 0.32
HTR6 P50406 1/20 0.32
NEK1 Q96PY6 1/20 0.31
CYP17A1 P05093 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
PGR P06401 1/20 0.31
NPY5R Q15761 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31

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
SCHEMBL21758514 0.96 GRM5 (0.35) GRM5DDB1CRBNTDO2CLK4
SCHEMBL21758237 0.94 TDO2 (0.40) GRM5TDO2CLK4MAP4K4NEK1
SCHEMBL21758517 0.94 TDO2 (0.38) PTGER4DDB1CRBNTDO2MAP4K4
SCHEMBL21758351 0.93 TDO2 (0.36) GRM5PTGER4DDB1CRBNTDO2
SCHEMBL21758615 0.91 PTGER4 (0.37) GRM5PTGER4DDB1CRBNTDO2
SCHEMBL21758229 0.90 DDB1 (0.40) PTGER4DDB1CRBNTDO2CLK4
SCHEMBL21758359 0.89 GABRA1 (0.36) GRM5DDB1CRBNTDO2CLK4
SCHEMBL21758238 0.89 CLK4 (0.43) GRM5TDO2CLK4MAP4K4NEK1
SCHEMBL23347738 0.89 ABCG2 (0.36) GRM5TDO2CLK4
SCHEMBL21758511 0.89 MAP4K4 (0.36) DDB1CRBNTDO2CLK4MAP4K4

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 GRM5 3349/4885PTGER4 1728/4885DDB1 2347/4885

“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.