SCHEMBL19903697

SCHEMBL19903697

N#Cc1ccc2c(c1)c1ccccc1n2-c1cc(C#N)c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1-n1c2ccccc2c2cc(C#N)ccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.33
PTGER4 P35408 1/20 0.32
ENPP3 O14638 1/20 0.32
PDPK1 O15530 1/20 0.32
RXRA P19793 1/20 0.32
RXRG P48443 1/20 0.32
MAT2A P31153 1/20 0.32
KDM4E B2RXH2 1/20 0.31
TMPRSS4 Q9NRS4 1/20 0.31
AR P10275 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
RORC P51449 2/20 0.31
TRPA1 O75762 1/20 0.31
XDH P47989 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
SCHEMBL22822133 0.97 RXRA (0.35) KIF11PTGER4ENPP3PDPK1RXRA
SCHEMBL19903700 0.94 KIF11 (0.37) KIF11RXRARXRGMAT2AKDM4E
SCHEMBL20925148 0.94 KIF11 (0.34) KIF11ENPP3PDPK1RXRARXRG
SCHEMBL19917905 0.94 KIF11 (0.33) KIF11PTGER4ENPP3PDPK1RXRA
SCHEMBL19918008 0.93 STS (0.34) KIF11PTGER4ENPP3PDPK1RXRA
SCHEMBL19912573 0.93 PTGER4 (0.34) KIF11PTGER4MAT2AARRORC
SCHEMBL19917822 0.93 KIF11 (0.39) KIF11PTGER4PDPK1RXRARXRG
SCHEMBL19903505 0.91 KIF11 (0.39) KIF11KDM4EARRORCTRPA1
SCHEMBL22564425 0.91 RXRA (0.39) KIF11RXRARXRGMAT2AKDM4E
SCHEMBL19918004 0.91 PTPN5 (0.39) RXRARXRGMAT2AKDM4ETRPA1

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 3253/4885PTGER4 1093/4885ENPP3 2497/4885
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 KIF11 3316/4885PTGER4 993/4885ENPP3 2751/4885

“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.