SCHEMBL22158502

SCHEMBL22158502

N#Cc1cc(-n2c3cc(-c4ncccn4)ccc3c3ccc(-c4ncccn4)cc32)c(-n2c3cc(-c4ncccn4)ccc3c3ccc(-c4ncccn4)cc32)cc1-c1cc(F)cc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.38
GRM5 P41594 3/20 0.36
CLK4 Q9HAZ1 1/20 0.35
SSTR2 P30874 2/20 0.35
CYP11B2 P19099 1/20 0.34
METAP2 P50579 1/20 0.34
CYP2C9 P11712 1/20 0.33
SSTR4 P31391 1/20 0.33
CYP2C19 P33261 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33

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
SCHEMBL22157065 0.96 SCN9A (0.36) SCN9AGRM5CLK4SSTR2CYP11B2
SCHEMBL23299783 0.92 GRM5 (0.35) SCN9AGRM5CLK4SSTR2CYP11B2
SCHEMBL22158503 0.91 SSTR2 (0.37) SCN9AGRM5CLK4SSTR2CYP11B2
SCHEMBL22158505 0.89 SSTR2 (0.36) SCN9AGRM5CLK4SSTR2CYP11B2
SCHEMBL22158277 0.89 SSTR2 (0.35) SCN9AGRM5CLK4SSTR2CYP11B2
SCHEMBL22157204 0.86 CLK4 (0.35) CLK4CYP11B2METAP2
SCHEMBL22156569 0.85 CLK4 (0.37) CLK4CYP11B2METAP2GABRA1GABRG2
SCHEMBL22156817 0.85 SSTR2 (0.35) CLK4SSTR2CYP11B2CYP2C9CYP2C19
SCHEMBL22158515 0.85 CYP11B1 (0.38) SSTR2CYP11B2CYP2C9CYP2C19
SCHEMBL23299820 0.84 FEN1 (0.39) SCN9ASSTR2CYP11B2METAP2GABRA1

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-20200203628-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-06-25 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-20200203628-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, OR51E2 SCN9A 2553/4885GRM5 3723/4885CLK4 3423/4885

“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.