SCHEMBL21399656

SCHEMBL21399656

N#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4)ccc2n3-c2ccc(C#N)cc2-c2c(-n3c4ccc(-c5ccc(C#N)cc5)cc4c4cc(-c5ccc(C#N)cc5)ccc43)cccc2C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.42
AR P10275 7/20 0.34
PDK2 Q15119 2/20 0.34
SYK P43405 1/20 0.33
PTPN5 P54829 1/20 0.33
CYP11B2 P19099 1/20 0.32
CASP3 P42574 1/20 0.32
ACP1 P24666 1/20 0.31
PGR P06401 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
TRPV4 Q9HBA0 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
SCHEMBL21399654 0.96 KIF11 (0.39) KIF11ARPDK2SYKPTPN5
SCHEMBL21399511 0.96 KIF11 (0.38) KIF11ARPDK2SYKPTPN5
SCHEMBL21399797 0.95 PDK2 (0.37) KIF11ARPDK2SYKPTPN5
SCHEMBL21399734 0.94 KIF11 (0.36) KIF11ARPDK2PTPN5CASP3
SCHEMBL21399521 0.93 KIF11 (0.36) KIF11ARPDK2SYKPTPN5
SCHEMBL21399730 0.91 AR (0.38) KIF11ARSYKCASP3PGR
SCHEMBL21399799 0.91 PDK2 (0.37) KIF11ARPDK2PTPN5ACP1
SCHEMBL21399735 0.91 AR (0.37) KIF11ARCASP3ACP1PGR
SCHEMBL20849126 0.90 KIF11 (0.41) KIF11ARPDK2SYKPTPN5
SCHEMBL20849245 0.90 KIF11 (0.39) KIF11ARPDK2SYKPGR

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 4281/4885AR 1991/4885PDK2 4121/4885

“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.