SCHEMBL21399486

SCHEMBL21399486

N#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)cc2-c2ccc(C(F)(F)F)cc2-n2c3ccccc3c3cc(-c4ccc(C#N)cc4)ccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.43
PDK2 Q15119 2/20 0.38
DGAT1 O75907 1/20 0.36
SOAT1 P35610 1/20 0.36
KCNH2 Q12809 1/20 0.36
PTPN5 P54829 2/20 0.36
PTGER4 P35408 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
RORC P51449 1/20 0.33
PDPK1 O15530 1/20 0.33
HSP90AA1 P07900 1/20 0.32
TACR1 P25103 2/20 0.32
KDM1A O60341 1/20 0.32

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
SCHEMBL21399267 0.97 KIF11 (0.39) KIF11PDK2DGAT1SOAT1KCNH2
SCHEMBL21399585 0.96 KIF11 (0.43) KIF11PDK2DGAT1SOAT1KCNH2
SCHEMBL21399485 0.95 KIF11 (0.48) KIF11PDK2DGAT1SOAT1KCNH2
SCHEMBL21399576 0.94 KIF11 (0.37) KIF11PDK2DGAT1SOAT1KCNH2
SCHEMBL21399771 0.94 KIF11 (0.36) KIF11PDK2PTPN5PTGER4PTGDR2
SCHEMBL21399604 0.94 PTPN5 (0.42) KIF11PDK2PTPN5PTGER4PTGDR2
SCHEMBL21399448 0.94 KIF11 (0.36) KIF11PDK2DGAT1SOAT1KCNH2
SCHEMBL21399269 0.94 KIF11 (0.42) KIF11PDK2DGAT1SOAT1KCNH2
SCHEMBL21399483 0.92 KIF11 (0.39) KIF11PDK2PTGDR2RORCHSP90AA1
SCHEMBL21399688 0.92 KIF11 (0.41) KIF11PDK2PTGDR2HSP90AA1

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 4281/4885PDK2 4121/4885DGAT1 4038/4885

“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.