SCHEMBL21929044

SCHEMBL21929044

N#Cc1ccc(-c2cc(-n3c4ccc(-c5cc(C#N)cc(C#N)c5)cc4c4cc(-c5cc(C#N)cc(C#N)c5)ccc43)ncc2-n2c3ccc(-c4cc(C#N)cc(C#N)c4)cc3c3cc(-c4cc(C#N)cc(C#N)c4)ccc32)cc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 4/20 0.34
CYP11B2 P19099 5/20 0.34
CYP19A1 P11511 1/20 0.34
PGR P06401 1/20 0.33
PIK3CD O00329 2/20 0.33
PIK3CA P42336 2/20 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
RIPK1 Q13546 1/20 0.32
CYP11B1 P15538 1/20 0.32
MTOR P42345 1/20 0.32
SSTR2 P30874 1/20 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
SCHEMBL21929043 0.94 PTGER4 (0.38) MAP4K4CYP11B2CYP19A1PGRSLC22A12
SCHEMBL21929274 0.94 MAP4K4 (0.39) MAP4K4CYP11B2PGRPIK3CDPIK3CA
SCHEMBL21928597 0.91 MAP4K4 (0.41) MAP4K4PIK3CAPLAUALDH1A1SSTR2
SCHEMBL21929048 0.91 CYP11B2 (0.34) MAP4K4CYP11B2CYP19A1PGRPLAU
SCHEMBL21929262 0.90 CYP11B2 (0.37) MAP4K4CYP11B2PGRPIK3CDPIK3CA
SCHEMBL21931677 0.90 MAP4K4 (0.40) MAP4K4PIK3CAPLAUALDH1A1SSTR2
SCHEMBL21929042 0.90 CYP11B2 (0.37) MAP4K4CYP11B2PGRPIK3CDPIK3CA
SCHEMBL21928541 0.89 GABRA1 (0.40) MAP4K4CYP11B2PGRPIK3CDPIK3CA
SCHEMBL21929233 0.88 PTGER4 (0.40) MAP4K4CYP11B2PGRPIK3CDPIK3CA
SCHEMBL21931712 0.88 MAPKAPK2 (0.42) MAP4K4CYP11B2PGRPIK3CDPIK3CA

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 MAP4K4 4030/4885CYP11B2 902/4885CYP19A1 1182/4885
US-20220388960-A1 ORGANIC MOLECULES FOR USE IN LIGHT-EMITTING DEVICES ALDH1A2, AOX1, CYBA MAP4K4 3973/4885CYP11B2 163/4885CYP19A1 161/4885

“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.