SCHEMBL19903608

SCHEMBL19903608

N#Cc1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)c(-n5c6ccccc6c6ccc(-c7ccc(C#N)cc7)cc65)cc4C#N)c3c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.39
PDPK1 O15530 1/20 0.36
PDK2 Q15119 1/20 0.35
RXRA P19793 1/20 0.34
RXRG P48443 1/20 0.34
DGAT1 O75907 1/20 0.34
SOAT1 P35610 1/20 0.34
KCNH2 Q12809 1/20 0.34
TACR1 P25103 2/20 0.33
PTPN5 P54829 2/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
AR P10275 1/20 0.32
SYK P43405 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
SCHEMBL20617389 0.97 KIF11 (0.39) KIF11PDPK1PDK2RXRARXRG
SCHEMBL19903593 0.96 KIF11 (0.43) KIF11PDPK1PDK2RXRARXRG
SCHEMBL19903592 0.94 KIF11 (0.39) KIF11PDPK1PDK2RXRARXRG
SCHEMBL20617037 0.94 RXRA (0.39) KIF11PDPK1RXRARXRGPTPN5
SCHEMBL19917824 0.94 KIF11 (0.39) KIF11PDPK1PDK2RXRARXRG
SCHEMBL19917924 0.94 KIF11 (0.34) KIF11RXRARXRGTACR1CYP11B1
SCHEMBL19917918 0.94 KIF11 (0.35) KIF11RXRARXRGTACR1CYP11B1
SCHEMBL19903607 0.93 RXRA (0.38) KIF11PDPK1RXRARXRGPTPN5
SCHEMBL19903627 0.93 KIF11 (0.34) KIF11PDPK1RXRARXRGAR
SCHEMBL20617400 0.93 KIF11 (0.42) KIF11PDPK1PDK2RXRARXRG

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 3253/4885PDPK1 4154/4885PDK2 3373/4885
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 KIF11 3316/4885PDPK1 4150/4885PDK2 3319/4885

“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.