SCHEMBL21929048

SCHEMBL21929048

N#Cc1ccc(-c2cc(-n3c4cc(-c5cc(C#N)cc(C#N)c5)ccc4c4ccc(-c5cc(C#N)cc(C#N)c5)cc43)ncc2-n2c3cc(-c4cc(C#N)cc(C#N)c4)ccc3c3ccc(-c4cc(C#N)cc(C#N)c4)cc32)cc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.34
CYP19A1 P11511 1/20 0.34
CHEK1 O14757 1/20 0.33
PLAU P00749 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTGER4 P35408 1/20 0.32
MAP4K4 O95819 3/20 0.32
RIPK1 Q13546 1/20 0.32
METAP2 P50579 1/20 0.32
CYP11B1 P15538 1/20 0.32
PGR P06401 2/20 0.31
SLC22A12 Q96S37 1/20 0.31
GRM5 P41594 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
SCHEMBL21929029 0.94 PTGER4 (0.38) CYP11B2CYP19A1CHEK1PLAUPTGER4
SCHEMBL21929230 0.94 CHEK1 (0.37) CYP11B2CHEK1PLAUKDM4EALDH1A1
SCHEMBL21928600 0.91 GRM5 (0.39) CHEK1PLAUALDH1A1MAP4K4GRM5
SCHEMBL21929044 0.91 MAP4K4 (0.34) CYP11B2CYP19A1PLAUKDM4EALDH1A1
SCHEMBL21929261 0.90 CYP11B2 (0.37) CYP11B2PLAUKDM4EALDH1A1L3MBTL1
SCHEMBL21931676 0.90 GRM5 (0.38) PLAUALDH1A1MAP4K4GRM5
SCHEMBL21929041 0.90 CYP11B2 (0.37) CYP11B2CHEK1KDM4EALDH1A1L3MBTL1
SCHEMBL21931728 0.89 GABRA1 (0.40) CYP11B2CHEK1PLAUALDH1A1PTGER4
SCHEMBL21928601 0.88 MAPKAPK2 (0.39) CYP11B2CHEK1KDM4EALDH1A1L3MBTL1
SCHEMBL21929229 0.88 PTGER4 (0.40) CYP11B2CHEK1PLAUPTGER4MAP4K4

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 CYP11B2 902/4885CYP19A1 1182/4885CHEK1 3808/4885
US-20220388960-A1 ORGANIC MOLECULES FOR USE IN LIGHT-EMITTING DEVICES ALDH1A2, AOX1, CYBA CYP11B2 163/4885CYP19A1 161/4885CHEK1 1237/4885

“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.