SCHEMBL20111889

SCHEMBL20111889

N#Cc1ccc(-c2ccc3c4ccc(-c5ccc(C#N)cc5)cc4n(-c4cc(C#N)cc(-n5c6cc(-c7ccc(C#N)cc7)ccc6c6ccc(-c7ccc(C#N)cc7)cc65)c4-c4ccc(C(F)(F)F)cc4C(F)(F)F)c3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.45
DGAT1 O75907 1/20 0.38
SOAT1 P35610 1/20 0.38
KCNH2 Q12809 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.36
PDK2 Q15119 1/20 0.34
NSD2 O96028 1/20 0.34
PTPN5 P54829 1/20 0.34
RXRA P19793 1/20 0.34
RXRG P48443 1/20 0.34
KDM1A O60341 3/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
MAOB P27338 1/20 0.32
CYP11B2 P19099 1/20 0.32
AR P10275 2/20 0.32
CHEK1 O14757 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 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
SCHEMBL20111875 0.95 KIF11 (0.40) KIF11DGAT1SOAT1KCNH2PTGDR2
SCHEMBL21258599 0.94 KIF11 (0.37) KIF11DGAT1SOAT1KCNH2PTGDR2
SCHEMBL21258779 0.94 RXRA (0.36) KIF11DGAT1SOAT1KCNH2PTGDR2
SCHEMBL20112035 0.93 ALOX5AP (0.38) KIF11DGAT1SOAT1KCNH2PTGDR2
SCHEMBL25659053 0.93 KIF11 (0.38) KIF11DGAT1SOAT1KCNH2PTGDR2
SCHEMBL20112041 0.93 RXRA (0.38) KIF11DGAT1SOAT1KCNH2PTGDR2
SCHEMBL25659114 0.92 KIF11 (0.45) KIF11PDK2NSD2RXRARXRG
SCHEMBL20111891 0.91 KIF11 (0.45) KIF11DGAT1SOAT1KCNH2PTGDR2
SCHEMBL21258728 0.91 KIF11 (0.36) KIF11PTGDR2ALOX5APFEN1AR
SCHEMBL20925057 0.91 KIF11 (0.36) KIF11DGAT1SOAT1KCNH2PTGDR2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10971688-B2 Organic molecules for use in organic optoelectronic devices CYNORA GMBH (DE) 2021-04-06 US disclosed
US-20190248741-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-08-15 US disclosed
EP-3360945-B1 ORGANIC ELECTROLUMINESCENT DEVICE CYNORA GMBH (DE) 2019-04-24 EP disclosed
WO-2018077492-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-03 WO 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-10971688-B2 Organic molecules for use in organic optoelectronic devices OR10J3, OR51E2, OPRM1 KIF11 3426/4885DGAT1 810/4885SOAT1 188/4885
US-20190248741-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 KIF11 3661/4885DGAT1 1592/4885SOAT1 393/4885

“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.