SCHEMBL21116338

SCHEMBL21116338

N#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4C#N)ccc2n3-c2cc(-c3ccc(C(F)(F)F)c(-n4c5ccc(-c6ccc(C#N)cc6C#N)cc5c5cc(-c6ccc(C#N)cc6C#N)ccc54)c3)ccc2C(F)(F)F)c(C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.42
AR P10275 13/20 0.38
STS P08842 1/20 0.37
PGR P06401 4/20 0.36
KDM1A O60341 1/20 0.36
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
TRPV4 Q9HBA0 1/20 0.33

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
SCHEMBL21116566 0.95 AR (0.39) KIF11ARSTSPGRKDM1A
SCHEMBL21116564 0.91 KIF11 (0.42) KIF11ARSTSPGRKDM1A
SCHEMBL22985255 0.89 AR (0.39) KIF11ARSTSPGRPRMT5
SCHEMBL21116565 0.88 AR (0.39) KIF11ARSTSPGRKDM1A
SCHEMBL21116534 0.88 KIF11 (0.50) KIF11ARPGRTRPV4
SCHEMBL21131425 0.87 AR (0.40) KIF11ARSTSPGRKDM1A
SCHEMBL25659384 0.87 AR (0.38) KIF11ARSTSPGRPRMT5
SCHEMBL22985018 0.87 AR (0.38) KIF11ARSTSPGRPRMT5
SCHEMBL21116555 0.86 KIF11 (0.56) KIF11ARPGRTRPV4
SCHEMBL22985017 0.86 AR (0.39) KIF11ARSTSPGRPRMT5

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 KIF11 3544/4885AR 1096/4885STS 1798/4885
US-11136294-B2 Organic molecules for use in optoelectronic devices OR10J3, ORC3, NOX3 KIF11 3520/4885AR 1080/4885STS 1978/4885

“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.