SCHEMBL20329641

SCHEMBL20329641

N#C/C=C1\c2cc(-c3ccc(C(F)(F)F)cc3F)ccc2-c2nc3c(nc21)-c1ccc(-c2ccc(C(F)(F)F)cc2F)cc1/C3=N\C#N

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 15/20 0.36
ALOX5AP P20292 14/20 0.36
GRM2 Q14416 1/20 0.32
MPL P40238 1/20 0.32
APP P05067 1/20 0.32
MYC P01106 1/20 0.30
WDR5 P61964 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
SCHEMBL10075005 0.79 FEN1 (0.44) FEN1ALOX5APGRM2MPLAPP
SCHEMBL16002459 0.71 MYC (0.34) MYCWDR5
SCHEMBL17196297 0.71 KIF11 (0.33) MYCWDR5
SCHEMBL1755022 0.71 FEN1 (0.42) FEN1ALOX5APGRM2MPLAPP
SCHEMBL10075462 0.70 MYC (0.40) MYCWDR5
SCHEMBL18216676 0.69
SCHEMBL20403077 0.68 EDNRB (0.34) FEN1ALOX5AP
SCHEMBL2756403 0.68 AR (0.34) MYCWDR5
SCHEMBL20169132 0.67 MAP2K4 (0.31)
SCHEMBL12247902 0.67 KIF11 (0.44) MYCWDR5

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-10840456-B2 Compound, material for organic electroluminescence devices, organic electroluminescence device, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2020-11-17 US disclosed
US-20180182974-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICES, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-06-28 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 (2 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-20180182974-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICES, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC DEVICE L1CAM, PIEZO1, LEF1 FEN1 1614/4885ALOX5AP 2941/4885GRM2 1545/4885
US-10840456-B2 Compound, material for organic electroluminescence devices, organic electroluminescence device, and electronic device L1CAM, PIEZO1, LEF1 FEN1 1614/4885ALOX5AP 2941/4885GRM2 1545/4885

“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.