SCHEMBL21116468

SCHEMBL21116468

N#Cc1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5ccc(C#N)c(-n6c7ccccc7c7ccc(-c8ccc(C#N)cc8C#N)cc76)c5)ccc4C#N)c3c2)c(C#N)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.40
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
AR P10275 2/20 0.32
FFAR4 Q5NUL3 1/20 0.32
IMPDH2 P12268 1/20 0.31
FLT3 P36888 3/20 0.31
TRPA1 O75762 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 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
SCHEMBL21116470 0.94 STS (0.41) STSPRMT5WDR77CYP11B1CYP11B2
SCHEMBL23798849 0.93 STS (0.40) STSPRMT5WDR77CYP11B1CYP11B2
SCHEMBL21116274 0.90 IMPDH2 (0.36) ARIMPDH2CA1CA2
SCHEMBL19755261 0.89 STS (0.36) STSCYP11B1CYP11B2ARIMPDH2
SCHEMBL21116510 0.89 CHEK1 (0.36) IMPDH2
SCHEMBL22737033 0.88 STS (0.37) STSPRMT5WDR77CYP11B1CYP11B2
SCHEMBL20156132 0.88 PTGER4 (0.35) STSPRMT5WDR77CYP11B1CYP11B2
SCHEMBL21116873 0.88 TRPA1 (0.41) CYP11B1CYP11B2ARIMPDH2TRPA1
SCHEMBL19062218 0.88 STS (0.43) STSPRMT5WDR77CYP11B1CYP11B2
SCHEMBL21132052 0.87 STS (0.39) STSPRMT5WDR77CYP11B1CYP11B2

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-11136294-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-10-05 US disclosed
US-20190194130-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-06-27 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 (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-20190194130-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, NOX3, ORC3 STS 1798/4885PRMT5 931/4885WDR77 3791/4885
US-11136294-B2 Organic molecules for use in optoelectronic devices OR10J3, ORC3, NOX3 STS 1978/4885PRMT5 857/4885WDR77 3758/4885

“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.