SCHEMBL20111554

SCHEMBL20111554

N#Cc1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)cc(-n5c6ccccc6c6ccc(-c7ccc(C#N)cc7)cc65)c4C#N)c3c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.40
PDK2 Q15119 1/20 0.35
DGAT1 O75907 1/20 0.34
SOAT1 P35610 1/20 0.34
KCNH2 Q12809 1/20 0.34
PDPK1 O15530 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
PTPN5 P54829 2/20 0.33
AR P10275 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NSD2 O96028 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
KDM1A O60341 2/20 0.30
MEN1 O00255 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
SCHEMBL20111551 0.95 KIF11 (0.44) KIF11PDK2DGAT1SOAT1KCNH2
SCHEMBL25659257 0.94 KIF11 (0.36) KIF11PDPK1PTGDR2ARALDH1A1
SCHEMBL20111557 0.94 KIF11 (0.40) KIF11PDK2DGAT1SOAT1KCNH2
SCHEMBL21258771 0.94 ALDH1A1 (0.37) KIF11PTPN5ARALDH1A1MAPT
SCHEMBL20111553 0.93 KIF11 (0.35) KIF11PDK2PTPN5ARALDH1A1
SCHEMBL21258688 0.93 KIF11 (0.38) KIF11PDK2PDPK1PTGDR2AR
SCHEMBL25659379 0.93 KIF11 (0.40) KIF11PDK2PDPK1PTPN5AR
SCHEMBL20111559 0.93 KIF11 (0.39) KIF11ARALDH1A1MAPTSMN1; SMN2
SCHEMBL21258671 0.93 PTPN5 (0.39) KIF11PDK2PTGDR2PTPN5AR
SCHEMBL21258753 0.91 AR (0.39) KIF11PDK2ARALDH1A1MAPT

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 3426/4885PDK2 2255/4885DGAT1 810/4885
US-20190248741-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 KIF11 3661/4885PDK2 3415/4885DGAT1 1592/4885

“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.