SCHEMBL20848833

SCHEMBL20848833

N#Cc1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c(-c2ccc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)cc2-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.33
SCN9A Q15858 1/20 0.33
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
AR P10275 1/20 0.32
KIF11 P52732 2/20 0.32
ELANE P08246 5/20 0.32
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.31
MAT2A P31153 1/20 0.31
PPARG P37231 2/20 0.31
PPARA Q07869 2/20 0.31
CTSK P43235 1/20 0.31

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
SCHEMBL20848804 0.97 EDNRB (0.35) CYP2C9SCN9AEDNRBEDNRAAR
SCHEMBL20848979 0.96 CYP2C9 (0.34) CYP2C9SCN9AEDNRBEDNRAAR
SCHEMBL22985601 0.94 KDM4E (0.35) ARKIF11ELANEKDM4EATM
SCHEMBL22985355 0.92 KDM4E (0.34) ARKIF11ELANEKDM4EATM
SCHEMBL20849522 0.92 KIF11 (0.35) CYP2C9SCN9AEDNRBEDNRAAR
SCHEMBL22985514 0.92 KDM4E (0.35) ARKIF11ELANEKDM4EATM
SCHEMBL20848466 0.92 KIF11 (0.35) CYP2C9SCN9AEDNRBEDNRAAR
SCHEMBL20848776 0.92 KIF11 (0.35) CYP2C9SCN9AEDNRBEDNRAAR
SCHEMBL21399723 0.92 KDM4E (0.37) CYP2C9KIF11ELANEKDM4EATM
SCHEMBL20848870 0.91 AR (0.33) CYP2C9SCN9AEDNRBEDNRAAR

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-10978646-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-04-13 US disclosed
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-03-28 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-10978646-B2 Organic molecules for use in optoelectronic devices OCIAD2, OCIAD1, POU2F1 CYP2C9 725/4885SCN9A 1664/4885EDNRB 1908/4885
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OCIAD2, OCIAD1, POU2F1 CYP2C9 725/4885SCN9A 1664/4885EDNRB 1908/4885

“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.