SCHEMBL19903593

SCHEMBL19903593

N#Cc1ccc(-c2ccc3c4ccc(-c5ccc(C#N)cc5)cc4n(-c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)c(-n5c6cc(-c7ccc(C#N)cc7)ccc6c6ccc(-c7ccc(C#N)cc7)cc65)cc4C#N)c3c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.43
RXRA P19793 1/20 0.37
RXRG P48443 1/20 0.37
DGAT1 O75907 1/20 0.36
SOAT1 P35610 1/20 0.36
KCNH2 Q12809 1/20 0.36
PDPK1 O15530 1/20 0.34
CYP11B2 P19099 2/20 0.34
CYP11B1 P15538 1/20 0.34
PDK2 Q15119 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
AR P10275 2/20 0.32
PTPN5 P54829 1/20 0.32
CHEK1 O14757 1/20 0.32
PGR P06401 1/20 0.32
KDM1A O60341 2/20 0.32
TACR1 P25103 1/20 0.32

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
SCHEMBL20617400 0.97 KIF11 (0.42) KIF11RXRARXRGDGAT1SOAT1
SCHEMBL19903608 0.96 KIF11 (0.39) KIF11RXRARXRGDGAT1SOAT1
SCHEMBL20617033 0.93 RXRA (0.41) KIF11RXRARXRGPDPK1CYP11B2
SCHEMBL19917927 0.93 CYP11B1 (0.36) KIF11RXRARXRGCYP11B2CYP11B1
SCHEMBL20617389 0.93 KIF11 (0.39) KIF11RXRARXRGDGAT1SOAT1
SCHEMBL19917997 0.92 RXRA (0.41) KIF11RXRARXRGPDPK1CYP11B2
SCHEMBL19918002 0.92 KIF11 (0.43) KIF11RXRARXRGDGAT1SOAT1
SCHEMBL19903626 0.92 KIF11 (0.36) KIF11RXRARXRGDGAT1SOAT1
SCHEMBL19917922 0.91 RXRA (0.34) KIF11RXRARXRGCYP11B2CYP11B1
SCHEMBL19903594 0.91 KIF11 (0.43) KIF11RXRARXRGDGAT1SOAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10439151-B2 Organic molecules, especially for use in organic optoelectronic devices CYNORA GMBH (DE) 2019-10-08 US disclosed
EP-3360945-B1 ORGANIC ELECTROLUMINESCENT DEVICE CYNORA GMBH (DE) 2019-04-24 EP disclosed
EP-3287450-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-03-20 EP disclosed
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-01 US disclosed
EP-3287450-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-02-28 EP 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-10439151-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, ORC3, AOC3 KIF11 3253/4885RXRA 3779/4885RXRG 3669/4885
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 KIF11 3316/4885RXRA 3635/4885RXRG 3474/4885

“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.