SCHEMBL21399657

SCHEMBL21399657

N#Cc1cc(C#N)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)cc2-c2c(-n3c4ccccc4c4cc(-c5cc(C#N)cc(C#N)c5)ccc43)cccc2C(F)(F)F)c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.33
ACP1 P24666 1/20 0.32
PDK2 Q15119 1/20 0.32
AR P10275 2/20 0.32
PTPN5 P54829 1/20 0.32
PTGER4 P35408 1/20 0.32
PGR P06401 1/20 0.32
SLC22A12 Q96S37 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
SCHEMBL21399734 0.96 KIF11 (0.36) KIF11ACP1PDK2ARPTPN5
SCHEMBL21399799 0.95 PDK2 (0.37) KIF11ACP1PDK2ARPTPN5
SCHEMBL20849446 0.94 KIF11 (0.34) KIF11ACP1PDK2ARPTPN5
SCHEMBL21399654 0.94 KIF11 (0.39) KIF11ACP1PDK2ARPTPN5
SCHEMBL21399521 0.93 KIF11 (0.36) KIF11ACP1PDK2ARPTPN5
SCHEMBL21399525 0.93 KIF11 (0.32) KIF11ACP1ARPTPN5PTGER4
SCHEMBL21399315 0.92 AR (0.36) KIF11ACP1ARPTGER4
SCHEMBL21399751 0.91 AR (0.36) KIF11ACP1ARPTGER4PGR
SCHEMBL21399797 0.91 PDK2 (0.37) KIF11ACP1PDK2ARPTPN5
SCHEMBL21399510 0.91 ACP1 (0.36) ACP1PDK2ARPTGER4SLC22A12

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 4281/4885ACP1 4600/4885PDK2 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.