SCHEMBL10075005

SCHEMBL10075005

N#CN=C1c2cc(-c3ccc(C(F)(F)F)cc3F)ccc2-c2ccc(-c3ccc(C(F)(F)F)cc3F)cc21

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 11/20 0.44
ALOX5AP P20292 11/20 0.44
APP P05067 2/20 0.42
KIF11 P52732 2/20 0.37
MPL P40238 1/20 0.37
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
GRM2 Q14416 1/20 0.36

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
SCHEMBL10050371 0.86 EDNRB (0.42) FEN1ALOX5APKIF11
SCHEMBL10050369 0.85 KIF11 (0.47) KIF11
SCHEMBL10050381 0.82 TDP2 (0.41) FEN1ALOX5APAPP
SCHEMBL13190325 0.81 KIF11 (0.36) FEN1ALOX5APKIF11MPL
SCHEMBL10050374 0.81 CTSS (0.43) KIF11
SCHEMBL10050376 0.81 RXRA (0.38) KIF11AKR1C3AKR1C2
SCHEMBL10050380 0.79 PTPRC (0.54) FEN1ALOX5AP
SCHEMBL20329641 0.79 FEN1 (0.36) FEN1ALOX5APAPPMPLGRM2
SCHEMBL10050370 0.78 CTSS (0.41) KIF11MPL
SCHEMBL10075008 0.78 KIF11 (0.55) KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119828-B2 Material for an organic electroluminescence device and an organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2012-02-21 US disclosed
US-20100044686-A1 MATERIAL FOR AN ORGANIC ELECTROLUMINESCENCE DEVICE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-02-25 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-20100044686-A1 MATERIAL FOR AN ORGANIC ELECTROLUMINESCENCE DEVICE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE AFF4, KCNH3, HCN4 FEN1 2430/4885ALOX5AP 4423/4885APP 2587/4885

“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.