SCHEMBL19903585

SCHEMBL19903585

N#Cc1cc(C#N)cc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc(-n3c4ccccc4c4cc(-c5cc(C#N)cc(C#N)c5)ccc43)c2C#N)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.41
RXRG P48443 1/20 0.41
ICMT O60725 6/20 0.34
KIF11 P52732 2/20 0.33
XDH P47989 1/20 0.33
PTPN5 P54829 1/20 0.33
PGR P06401 1/20 0.32
TAS2R14 Q9NYV8 1/20 0.32
TACR1 P25103 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL21414235 1.00 RXRA (0.41) RXRARXRGICMTKIF11XDH
SCHEMBL20617044 0.99 RXRA (0.41) RXRARXRGICMTKIF11XDH
SCHEMBL20617440 0.99 RXRA (0.41) RXRARXRGICMTKIF11XDH
SCHEMBL20617383 0.95 RXRA (0.42) RXRARXRGKIF11XDHPTPN5
SCHEMBL22564447 0.95 RXRA (0.45) RXRARXRGICMTKIF11XDH
SCHEMBL19903550 0.94 ICMT (0.37) RXRARXRGICMTKIF11TACR1
SCHEMBL19903487 0.94 RXRA (0.44) RXRARXRGICMTKIF11XDH
SCHEMBL21414162 0.94 RXRA (0.44) RXRARXRGICMTKIF11XDH
SCHEMBL21546818 0.94 PTPN5 (0.41) RXRARXRGICMTPTPN5
SCHEMBL22822642 0.94 PTPN5 (0.41) RXRARXRGKIF11PTPN5PGR

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 RXRA 3779/4885RXRG 3669/4885ICMT 156/4885
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 RXRA 3635/4885RXRG 3474/4885ICMT 127/4885

“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.