SCHEMBL21399320

SCHEMBL21399320

N#Cc1cc(C#N)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)cc2-c2cccc(C(F)(F)F)c2-n2c3ccccc3c3cc(-c4cc(C#N)cc(C#N)c4)ccc32)c1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.34
PDK2 Q15119 2/20 0.34
ACP1 P24666 1/20 0.34
KIF11 P52732 1/20 0.33
PTPN5 P54829 1/20 0.32
PTGER4 P35408 1/20 0.32
PGR P06401 2/20 0.32
ENPP1 P22413 1/20 0.32
SLC22A12 Q96S37 2/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
XDH P47989 1/20 0.30
USP1 O94782 1/20 0.30
WDR48 Q8TAF3 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
SCHEMBL21399312 0.96 KIF11 (0.36) ARPDK2ACP1KIF11PTPN5
SCHEMBL21399809 0.95 PDK2 (0.39) ARPDK2ACP1KIF11PTPN5
SCHEMBL21399667 0.94 KIF11 (0.39) ARPDK2ACP1KIF11PTPN5
SCHEMBL21399789 0.93 AR (0.33) ARPDK2ACP1KIF11PTPN5
SCHEMBL21399647 0.92 AR (0.36) ARPDK2ACP1KIF11PTGER4
SCHEMBL21399810 0.91 PDK2 (0.39) ARPDK2ACP1KIF11PTPN5
SCHEMBL21399617 0.91 AR (0.38) ARACP1KIF11PTGER4PGR
SCHEMBL21399739 0.91 AR (0.38) ARPDK2ACP1KIF11PTPN5
SCHEMBL20849446 0.90 KIF11 (0.34) ARPDK2ACP1KIF11PTPN5
SCHEMBL21399670 0.90 KIF11 (0.42) ARPDK2ACP1KIF11PTPN5

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 AR 1991/4885PDK2 4121/4885ACP1 4600/4885

“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.