SCHEMBL21928639

SCHEMBL21928639

N#Cc1ccc(-c2ccc3c4ccc(-c5ccc(C#N)cc5)cc4n(-c4cncc(-n5c6cc(-c7ccc(C#N)cc7)ccc6c6ccc(-c7ccc(C#N)cc7)cc65)c4-c4ccc(C#N)cc4)c3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.45
CYP11B2 P19099 4/20 0.40
PGR P06401 1/20 0.38
PLAU P00749 1/20 0.37
AR P10275 1/20 0.37
MAP4K4 O95819 1/20 0.37
SLC22A12 Q96S37 1/20 0.35
XDH P47989 1/20 0.35
MMP3 P08254 1/20 0.35
CYP11B1 P15538 2/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
CYP17A1 P05093 1/20 0.35
LIMK1 P53667 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
FLT3 P36888 1/20 0.34
PIK3CD O00329 1/20 0.34

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
SCHEMBL21931767 0.95 GABRA1 (0.43) CHEK1CYP11B2PGRPLAUAR
SCHEMBL21928436 0.94 CHEK1 (0.41) CHEK1CYP11B2PGRPLAUAR
SCHEMBL21928421 0.94 CHEK1 (0.46) CHEK1CYP11B2PGRARXDH
SCHEMBL21929267 0.93 CHEK1 (0.40) CHEK1CYP11B2PGRPLAUAR
SCHEMBL21928442 0.93 CHEK1 (0.38) CHEK1CYP11B2PGRARSLC22A12
SCHEMBL21931769 0.91 GABRA1 (0.40) CHEK1CYP11B2CYP11B1GABRA1GABRG2
SCHEMBL21928430 0.91 CHEK1 (0.41) CHEK1CYP11B2PLAUMAP4K4CYP11B1
SCHEMBL21928449 0.90 CHEK1 (0.43) CHEK1CYP11B2ARCYP11B1PIK3CD
SCHEMBL21928420 0.90 CHEK1 (0.41) CHEK1CYP11B2PGRPLAUMAP4K4
SCHEMBL21928631 0.89 PGR (0.40) CHEK1CYP11B2PGRPLAUAR

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 CHEK1 3808/4885CYP11B2 902/4885PGR 969/4885
US-20220388960-A1 ORGANIC MOLECULES FOR USE IN LIGHT-EMITTING DEVICES ALDH1A2, AOX1, CYBA CHEK1 1237/4885CYP11B2 163/4885PGR 1361/4885

“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.