SCHEMBL21399485

SCHEMBL21399485

N#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4)ccc2n3-c2ccc(C#N)cc2-c2ccc(C(F)(F)F)cc2-n2c3ccc(-c4ccc(C#N)cc4)cc3c3cc(-c4ccc(C#N)cc4)ccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.48
DGAT1 O75907 1/20 0.40
SOAT1 P35610 1/20 0.40
KCNH2 Q12809 1/20 0.40
PTGDR2 Q9Y5Y4 3/20 0.38
PDK2 Q15119 1/20 0.36
PTPN5 P54829 2/20 0.36
KDM1A O60341 4/20 0.34
RXRA P19793 1/20 0.33
RXRG P48443 1/20 0.33
MAOB P27338 1/20 0.33
CYP11B2 P19099 1/20 0.33
PGR P06401 1/20 0.33

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
SCHEMBL21399586 0.95 KIF11 (0.48) KIF11DGAT1SOAT1KCNH2PTGDR2
SCHEMBL21399486 0.95 KIF11 (0.43) KIF11DGAT1SOAT1KCNH2PTGDR2
SCHEMBL21399269 0.94 KIF11 (0.42) KIF11DGAT1SOAT1KCNH2PTGDR2
SCHEMBL21399577 0.93 KIF11 (0.41) KIF11DGAT1SOAT1KCNH2PTGDR2
SCHEMBL21399447 0.93 KIF11 (0.40) KIF11DGAT1SOAT1KCNH2PTGDR2
SCHEMBL21399777 0.93 KIF11 (0.40) KIF11DGAT1SOAT1KCNH2PTGDR2
SCHEMBL21399609 0.92 PTPN5 (0.42) KIF11PTGDR2PDK2PTPN5PGR
SCHEMBL21399481 0.92 KIF11 (0.40) KIF11DGAT1SOAT1KCNH2PTGDR2
SCHEMBL21399484 0.92 KIF11 (0.40) KIF11DGAT1SOAT1KCNH2PTGDR2
SCHEMBL20848719 0.92 KIF11 (0.42) KIF11DGAT1SOAT1KCNH2PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190292151-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-26 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 (1 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-20190292151-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, NR2E3, FOXO3 KIF11 4281/4885DGAT1 4038/4885SOAT1 1076/4885

“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.