SCHEMBL20112059

SCHEMBL20112059

Cc1nc(C)nc(-c2ccc3c4ccc(-c5nc(C)nc(C)n5)cc4n(-c4cc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)cc(-n5c6cc(-c7nc(C)nc(C)n7)ccc6c6ccc(-c7nc(C)nc(C)n7)cc65)c4C#N)c3c2)n1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
CYP2C9 P11712 1/20 0.33
SCN9A Q15858 1/20 0.33
PDE10A Q9Y233 1/20 0.31
CTSS P25774 2/20 0.31
CTSK P43235 2/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
GAA P10253 1/20 0.30
CYP2D6 P10635 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
XDH P47989 1/20 0.30
MAT2A P31153 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
SCHEMBL21109632 0.96 ALOX5AP (0.35) ALOX5APFEN1CYP2C9SCN9APDE10A
SCHEMBL20112053 0.95 KIF11 (0.35) ALOX5APFEN1CYP2C9SCN9ACTSS
SCHEMBL20112057 0.92 ALOX5AP (0.33) ALOX5APFEN1CYP2C9SCN9ACTSS
SCHEMBL21108760 0.92 KIF11 (0.35) ALOX5APFEN1CYP2C9SCN9AALDH1A1
SCHEMBL25659424 0.90 NSD2 (0.33) CTSSCTSK
SCHEMBL25660632 0.90 ALOX5AP (0.39) ALOX5APFEN1SCN9APDE10ACTSS
SCHEMBL20112052 0.90 CYP2C9 (0.33) ALOX5APFEN1CYP2C9SCN9ACTSS
SCHEMBL20114995 0.90 AR (0.36) ALOX5APFEN1CYP2C9SCN9AXDH
SCHEMBL23487686 0.89 ALOX5AP (0.35) ALOX5APFEN1CYP2C9SCN9AALDH1A1
SCHEMBL21258830 0.88 ALOX5AP (0.39) ALOX5APFEN1CYP2C9SCN9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10971688-B2 Organic molecules for use in organic optoelectronic devices CYNORA GMBH (DE) 2021-04-06 US disclosed
US-20190248741-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-08-15 US disclosed
EP-3360945-B1 ORGANIC ELECTROLUMINESCENT DEVICE CYNORA GMBH (DE) 2019-04-24 EP disclosed
WO-2018077492-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-03 WO 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-10971688-B2 Organic molecules for use in organic optoelectronic devices OR10J3, OR51E2, OPRM1 ALOX5AP 2592/4885FEN1 1121/4885CYP2C9 171/4885
US-20190248741-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 ALOX5AP 3253/4885FEN1 1286/4885CYP2C9 817/4885

“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.