SCHEMBL21258780

SCHEMBL21258780

N#Cc1cc(C#N)cc(-c2ccc3c(c2)c2ccccc2n3-c2cc(C#N)cc(-n3c4ccccc4c4cc(-c5cc(C#N)cc(C#N)c5)ccc43)c2-c2ccc(C(F)(F)F)cc2C(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.34
RXRA P19793 1/20 0.33
RXRG P48443 1/20 0.33
PTPN5 P54829 1/20 0.32
MAT2A P31153 1/20 0.31
PDK2 Q15119 1/20 0.31
AR P10275 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CYP2C9 P11712 1/20 0.30
SCN9A Q15858 1/20 0.30
PGR P06401 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 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
SCHEMBL20112036 0.95 RXRA (0.35) KIF11RXRARXRGARALDH1A1
SCHEMBL20111571 0.95 RXRA (0.36) KIF11RXRARXRGPTPN5MAT2A
SCHEMBL20111872 0.94 PTPN5 (0.40) KIF11PTPN5MAT2APDK2ALDH1A1
SCHEMBL21258782 0.94 KIF11 (0.36) KIF11RXRARXRGPTPN5PDK2
SCHEMBL21258604 0.94 KIF11 (0.35) KIF11RXRARXRGPTPN5MAT2A
SCHEMBL20111873 0.94 KIF11 (0.40) KIF11RXRARXRGPTPN5PDK2
SCHEMBL20112043 0.94 AR (0.36) KIF11RXRARXRGMAT2AAR
SCHEMBL21258786 0.93 KIF11 (0.34) KIF11ARCYP2C9SCN9A
SCHEMBL21414194 0.92 AR (0.35) KIF11RXRARXRGPTPN5MAT2A
SCHEMBL21258727 0.92 KIF11 (0.38) KIF11MAT2AARCYP2C9SCN9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10971688-B2 Organic molecules for use in organic optoelectronic devices CYNORA GMBH (DE) 2021-04-06 US disclosed
US-20190248741-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-08-15 US 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-10971688-B2 Organic molecules for use in organic optoelectronic devices OR10J3, OR51E2, OPRM1 KIF11 3426/4885RXRA 1755/4885RXRG 1424/4885
US-20190248741-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 KIF11 3661/4885RXRA 3082/4885RXRG 2888/4885

“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.