SCHEMBL22760705

SCHEMBL22760705

N#Cc1cccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc(C#N)cc5C#N)ccc43)c(C#N)c(-n3c4ccc(-c5ccc(C#N)cc5C#N)cc4c4cc(-c5cc(C#N)cc(C#N)c5-c5ccc6c7ccccc7n(-c7cc(-c8cccc(C#N)c8)cc(-n8c9ccccc9c9ccc(-c%10ccc(C#N)cc%10C#N)cc98)c7C#N)c6c5)ccc43)c2)c1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
STS P08842 1/20 0.31
PGR P06401 3/20 0.31
PRF1 P14222 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
PDK2 Q15119 1/20 0.30
FLT3 P36888 1/20 0.30

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
SCHEMBL21546770 0.92 STS (0.36) CHEK1PRMT5WDR77STSPGR
SCHEMBL21546829 0.92 STS (0.36) CHEK1PRMT5WDR77STSPGR
SCHEMBL21546806 0.90 STS (0.33) CHEK1PRMT5WDR77STSPGR
SCHEMBL22760702 0.90 GRIN1 (0.33) CHEK1GRIN1GRIN2BPDK2
SCHEMBL21414183 0.88 STS (0.37) PRMT5WDR77STSPGR
SCHEMBL21414292 0.88 STS (0.37) PRMT5WDR77STS
SCHEMBL22760706 0.88 STS (0.36) CHEK1PRMT5WDR77STSPGR
SCHEMBL21546822 0.88 MAP4K4 (0.36) CHEK1PRMT5WDR77STSPGR
SCHEMBL19917591 0.88 GRIN1 (0.33) CHEK1GRIN1GRIN2BPDK2
SCHEMBL21547017 0.86 MAP4K4 (0.36) CHEK1PGR

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
US-10981930-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-04-20 US disclosed
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-12-10 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-10981930-B2 Organic molecules for use in optoelectronic devices OR10J3, OR51E2, EPCAM CHEK1 1834/4885PRMT5 3155/4885WDR77 4677/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM CHEK1 1834/4885PRMT5 3155/4885WDR77 4677/4885

“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.