SCHEMBL19903699

SCHEMBL19903699

N#Cc1ccc2c3ccc(C#N)cc3n(-c3cc(C#N)c(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3-n3c4cc(C#N)ccc4c4ccc(C#N)cc43)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.37
RXRA P19793 1/20 0.34
RXRG P48443 1/20 0.34
TMPRSS4 Q9NRS4 1/20 0.34
XDH P47989 1/20 0.33
CYP1A2 P05177 1/20 0.33
METAP2 P50579 1/20 0.33
KDM4E B2RXH2 1/20 0.32
DGAT1 O75907 1/20 0.32
SOAT1 P35610 1/20 0.32
KCNH2 Q12809 1/20 0.32
CYP11B1 P15538 3/20 0.32
CYP11B2 P19099 3/20 0.32
GRM5 P41594 2/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDO2 P48775 1/20 0.31
CTSS P25774 2/20 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
SCHEMBL22564424 0.96 RXRA (0.39) KIF11RXRARXRGTMPRSS4XDH
SCHEMBL20925148 0.94 KIF11 (0.34) KIF11RXRARXRGTMPRSS4XDH
SCHEMBL19918002 0.92 KIF11 (0.43) KIF11RXRARXRGDGAT1SOAT1
SCHEMBL19903626 0.92 KIF11 (0.36) KIF11RXRARXRGTMPRSS4XDH
SCHEMBL22564426 0.91 RXRA (0.35) KIF11RXRARXRGXDHCYP1A2
SCHEMBL19903700 0.90 KIF11 (0.37) KIF11RXRARXRGTMPRSS4XDH
SCHEMBL19903506 0.90 KIF11 (0.37) KIF11XDHKDM4ECYP11B1CYP11B2
SCHEMBL22822580 0.90 RXRA (0.42) KIF11RXRARXRGXDHCYP1A2
SCHEMBL22822145 0.89 RXRA (0.39) KIF11RXRARXRGXDHCYP1A2
SCHEMBL20925084 0.89 CYP11B1 (0.37) KIF11RXRARXRGXDHKDM4E

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.