SCHEMBL21928627

SCHEMBL21928627

Cc1cc(C)c(-c2ccc3c4ccc(-c5c(C)cccc5C)cc4n(-c4cncc(-n5c6cc(-c7c(C)cccc7C)ccc6c6ccc(-c7c(C)cc(C)cc7C)cc65)c4-c4ccc(C#N)cc4)c3c2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.40
SRC P12931 1/20 0.36
AR P10275 2/20 0.35
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
RAF1 P04049 1/20 0.34
KDM1A O60341 3/20 0.34
SCN10A Q9Y5Y9 2/20 0.34
KCNH2 Q12809 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
NSD2 O96028 1/20 0.33
SCN2A Q99250 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
BRD4 O60885 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
GRM2 Q14416 1/20 0.32

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
SCHEMBL24737225 0.96 CHEK1 (0.42) CHEK1ARCYP11B1CYP11B2KDM1A
SCHEMBL21928625 0.93 CHEK1 (0.39) CHEK1ARCYP11B1CYP11B2KDM1A
SCHEMBL21931708 0.90 IDO1 (0.36) CHEK1CYP11B1CYP11B2TNKS2IRAK4
SCHEMBL21929292 0.88 CHEK1 (0.38) CHEK1ARCYP11B1CYP11B2KDM1A
SCHEMBL21928626 0.87 PTGER4 (0.40) CHEK1ARCYP11B1CYP11B2KDM1A
SCHEMBL21928584 0.86 ALDH1A3 (0.34) CHEK1TNKS2IRAK4
SCHEMBL23348455 0.85 CHEK1 (0.37) CHEK1ARKDM1ATNKS2NSD2
SCHEMBL21929285 0.85 CYP11B2 (0.46) CHEK1ARCYP11B1CYP11B2KDM1A
SCHEMBL21928449 0.85 CHEK1 (0.43) CHEK1ARCYP11B1CYP11B2KDM1A
SCHEMBL21929025 0.84 CHEK1 (0.41) CHEK1SRCARCYP11B1CYP11B2

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-20200136054-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-04-30 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-20200136054-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, OGFR, OR51E2 CHEK1 3808/4885SRC 963/4885AR 1616/4885

“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.