SCHEMBL22563579

SCHEMBL22563579

Cc1cc(C)nc(-c2c(-n3c4cc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)ccc4c4ccc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)cc43)cc(C#N)cc2-n2c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc3c3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc32)n1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.35
FEN1 P39748 2/20 0.35
GRM5 P41594 3/20 0.35
CYP2C9 P11712 1/20 0.35
SCN9A Q15858 1/20 0.35
KIF11 P52732 2/20 0.34
DGAT1 O75907 1/20 0.34
SOAT1 P35610 1/20 0.34
KCNH2 Q12809 1/20 0.34
NSD2 O96028 1/20 0.33
CRHR1 P34998 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
MAT2A P31153 1/20 0.30
AR P10275 1/20 0.30
CYP11B2 P19099 1/20 0.30
PDE10A Q9Y233 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
SCHEMBL19942768 0.93 ALOX5AP (0.35) ALOX5APFEN1GRM5CYP2C9SCN9A
SCHEMBL19909447 0.91 ALOX5AP (0.35) ALOX5APFEN1GRM5CYP2C9SCN9A
SCHEMBL22563373 0.88 GRM5 (0.40) GRM5KIF11DGAT1SOAT1KCNH2
SCHEMBL20112035 0.87 ALOX5AP (0.38) ALOX5APFEN1CYP2C9SCN9AKIF11
SCHEMBL22562412 0.86 CYP2C9 (0.37) ALOX5APFEN1GRM5CYP2C9SCN9A
SCHEMBL19913296 0.86 CYP2C9 (0.32) ALOX5APFEN1GRM5CYP2C9SCN9A
SCHEMBL23487351 0.86 ALOX5AP (0.37) ALOX5APFEN1CYP2C9SCN9ACRHR1
SCHEMBL23487686 0.86 ALOX5AP (0.35) ALOX5APFEN1CYP2C9SCN9ACRHR1
SCHEMBL21108792 0.85 S1PR1 (0.33) ALOX5APFEN1CYP2C9SCN9AKIF11
SCHEMBL23487688 0.85 RXRA (0.37) GRM5KIF11DGAT1SOAT1KCNH2

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-20210175434-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2021-06-10 US disclosed
EP-3580300-B1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-10-21 EP 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-20210175434-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, OR51E2, OCIAD2 ALOX5AP 3140/4885FEN1 1753/4885GRM5 3519/4885

“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.