SCHEMBL21693050

SCHEMBL21693050

N#Cc1cccc(-c2cccc(-c3cccc(C#N)c3)c2-c2cc(-c3ccc4sc5ccccc5c4c3)cc(-c3ccc4sc5ccccc5c4c3)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.40
PDK2 Q15119 1/20 0.39
MAP4K4 O95819 1/20 0.38
ADORA2A P29274 1/20 0.38
ALOX5 P09917 1/20 0.38
CHEK1 O14757 1/20 0.38
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
PTPN5 P54829 1/20 0.36
NTRK1 P04629 2/20 0.35
PIK3CA P42336 1/20 0.35
PDE10A Q9Y233 1/20 0.35
XDH P47989 1/20 0.35
SLC22A12 Q96S37 1/20 0.35

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
SCHEMBL21691692 0.94 ADRA2C (0.43) ADRA2CPDK2MAP4K4ADORA2AALOX5
SCHEMBL21692507 0.94 ADRA2C (0.43) ADRA2CPDK2MAP4K4ADORA2AALOX5
SCHEMBL21691605 0.93 ADRA2C (0.38) ADRA2CPDK2MAP4K4ADORA2AALOX5
SCHEMBL21692462 0.93 ALOX5 (0.38) ADRA2CPDK2ADORA2AALOX5ALDH1A1
SCHEMBL21691602 0.93 ADRA2C (0.42) ADRA2CPDK2MAP4K4ADORA2AALOX5
SCHEMBL21691724 0.91 ADRA2C (0.41) ADRA2CPDK2MAP4K4ADORA2AALOX5
SCHEMBL21691931 0.91 MAP4K4 (0.44) PDK2MAP4K4ADORA2ACHEK1GABRG2
SCHEMBL21691567 0.91 MAP4K4 (0.44) PDK2MAP4K4ADORA2ACHEK1GABRG2
SCHEMBL21693223 0.90 ADRA2C (0.40) ADRA2CPDK2MAP4K4ADORA2AALOX5
SCHEMBL21693031 0.90 MAP4K4 (0.43) PDK2MAP4K4ADORA2ACHEK1GABRG2

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-11053228-B2 Condensed cyclic compound, composition including the condensed cyclic compound, and organic light-emitting device including the condensed cyclic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2021-07-06 US disclosed
US-20200031812-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE CONDENSED CYCLIC COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE CONDENSED CYCLIC COMPOUND SAMSUNG SDI CO., LTD. (KR) 2020-01-30 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-11053228-B2 Condensed cyclic compound, composition including the condensed cyclic compound, and organic light-emitting device including the condensed cyclic compound CCNL2, ARL1, CRY1 ADRA2C 776/4885PDK2 1990/4885MAP4K4 3404/4885
US-20200031812-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE CONDENSED CYCLIC COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE CONDENSED CYCLIC COMPOUND CCNL2, ARL1, CRY1 ADRA2C 776/4885PDK2 1990/4885MAP4K4 3404/4885

“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.