SCHEMBL21928593

SCHEMBL21928593

Cc1ccc(-c2ccc3c4ccc(-c5ccc(C)cc5C)cc4n(-c4cncc(-n5c6cc(-c7ccc(C)cc7C)ccc6c6ccc(-c7ccc(C)cc7C)cc65)c4-c4ccc(C#N)cc4)c3c2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.40
CYP11B2 P19099 7/20 0.39
CYP11B1 P15538 4/20 0.39
GRM2 Q14416 1/20 0.36
AR P10275 1/20 0.35
KDM1A O60341 4/20 0.33
PRKCQ Q04759 1/20 0.33
NSD2 O96028 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2A6 P11509 1/20 0.33
FLT3 P36888 1/20 0.32
USP14 P54578 1/20 0.32
KCNH2 Q12809 1/20 0.32
SCN10A Q9Y5Y9 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
SCHEMBL21928418 0.95 CHEK1 (0.37) CHEK1CYP11B2CYP11B1GRM2AR
SCHEMBL21928591 0.91 CYP11B2 (0.39) CHEK1CYP11B2CYP11B1GRM2AR
SCHEMBL21931740 0.90 CHEK1 (0.40) CHEK1CYP11B2CYP11B1GRM2AR
SCHEMBL24737200 0.89 CYP1A2 (0.38) CHEK1CYP11B2CYP11B1ALDH1A1FLT3
SCHEMBL21928615 0.89 PTGER4 (0.38) CHEK1CYP11B2CYP11B1GRM2AR
SCHEMBL21929025 0.88 CHEK1 (0.41) CHEK1CYP11B2CYP11B1ARALDH1A1
SCHEMBL24737225 0.87 CHEK1 (0.42) CHEK1CYP11B2CYP11B1ARKDM1A
SCHEMBL21928421 0.87 CHEK1 (0.46) CHEK1CYP11B2CYP11B1GRM2AR
SCHEMBL19909499 0.86 CYP11B1 (0.38) CHEK1CYP11B2CYP11B1GRM2FLT3
SCHEMBL21929032 0.85 CHEK1 (0.39) CHEK1CYP11B2CYP11B1AR

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-20220388960-A1 ORGANIC MOLECULES FOR USE IN LIGHT-EMITTING DEVICES CYNORA GMBH (DE) 2022-12-08 US disclosed
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 (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-20200136054-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, OGFR, OR51E2 CHEK1 3808/4885CYP11B2 902/4885CYP11B1 1431/4885
US-20220388960-A1 ORGANIC MOLECULES FOR USE IN LIGHT-EMITTING DEVICES ALDH1A2, AOX1, CYBA CHEK1 1237/4885CYP11B2 163/4885CYP11B1 432/4885

“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.