SCHEMBL19903595

SCHEMBL19903595

N#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(-n3c4ccccc4c4cc(-c5ccc(C#N)cc5C#N)ccc43)cc2C#N)c(C#N)c1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.34
STS P08842 1/20 0.34
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
PTGER4 P35408 1/20 0.33
AR P10275 4/20 0.32
KIF11 P52732 1/20 0.32
PDPK1 O15530 1/20 0.31
RXRA P19793 1/20 0.31
RXRG P48443 1/20 0.31
PGR P06401 1/20 0.31
NR3C1 P04150 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
CETP P11597 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
SCHEMBL20617391 0.97 RXRA (0.34) XDHSTSALOX5APFEN1PTGER4
SCHEMBL19903609 0.96 ALOX5AP (0.35) XDHSTSALOX5APFEN1AR
SCHEMBL19918008 0.95 STS (0.34) XDHSTSALOX5APFEN1PTGER4
SCHEMBL19903601 0.94 XDH (0.34) XDHSTSALOX5APFEN1AR
SCHEMBL20617395 0.93 RXRA (0.36) XDHSTSALOX5APFEN1KIF11
SCHEMBL22822652 0.92 RXRA (0.35) XDHSTSALOX5APFEN1PTGER4
SCHEMBL19917905 0.92 KIF11 (0.33) XDHPTGER4ARKIF11PDPK1
SCHEMBL20617406 0.91 RXRA (0.34) XDHSTSALOX5APFEN1AR
SCHEMBL25659738 0.91 ALOX5AP (0.40) XDHSTSALOX5APFEN1PTGER4
SCHEMBL19903592 0.91 KIF11 (0.39) PTGER4KIF11PDPK1RXRARXRG

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 XDH 91/4885STS 1862/4885ALOX5AP 3371/4885
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 XDH 68/4885STS 1632/4885ALOX5AP 3376/4885

“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.