SCHEMBL20111601

SCHEMBL20111601

N#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4)ccc2n3-c2cc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)c(-n3c4ccc(-c5ccc(C#N)cc5)cc4c4cc(-c5ccc(C#N)cc5)ccc43)cc2C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.43
DGAT1 O75907 1/20 0.39
SOAT1 P35610 1/20 0.39
KCNH2 Q12809 1/20 0.39
NSD2 O96028 1/20 0.35
AR P10275 6/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
KDM1A O60341 3/20 0.34
PGR P06401 2/20 0.33
PDK2 Q15119 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
PTPN5 P54829 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
SCHEMBL21258880 0.96 KIF11 (0.40) KIF11DGAT1SOAT1KCNH2NSD2
SCHEMBL20112008 0.94 KIF11 (0.43) KIF11DGAT1SOAT1KCNH2NSD2
SCHEMBL20111879 0.93 RXRA (0.34) KIF11DGAT1SOAT1KCNH2NSD2
SCHEMBL20111600 0.93 KIF11 (0.42) KIF11DGAT1SOAT1KCNH2NSD2
SCHEMBL25658759 0.93 KIF11 (0.43) KIF11NSD2ARPGRPDK2
SCHEMBL20111603 0.92 ALOX5AP (0.38) KIF11DGAT1SOAT1KCNH2NSD2
SCHEMBL20111850 0.92 AR (0.37) KIF11ARPGRALOX5APFEN1
SCHEMBL25659736 0.92 KIF11 (0.45) KIF11DGAT1SOAT1KCNH2AR
SCHEMBL21258698 0.91 AR (0.40) KIF11ARPGRALOX5APFEN1
SCHEMBL20111857 0.91 AR (0.36) KIF11DGAT1SOAT1KCNH2NSD2

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.