SCHEMBL21693098

SCHEMBL21693098

N#Cc1cccc(-c2cc(-c3cccc4c3sc3ccccc34)cc(-c3ccc4sc5ccccc5c4c3)c2C#N)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.48
ADRA2C P18825 1/20 0.38
PRKDC P78527 1/20 0.36
ADORA2A P29274 3/20 0.35
ADORA1 P30542 3/20 0.35
ADORA2B P29275 2/20 0.35
PDK2 Q15119 1/20 0.34
PDE10A Q9Y233 1/20 0.33
MAP4K4 O95819 1/20 0.33
PARP14 Q460N5 1/20 0.33
ENPP1 P22413 1/20 0.33
PRF1 P14222 1/20 0.33
MAOB P27338 1/20 0.33
CHEK1 O14757 1/20 0.33
CLK4 Q9HAZ1 3/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C19 P33261 2/20 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
SCHEMBL21693104 0.94 ALOX5 (0.44) ALOX5ADRA2CPRKDCADORA2AADORA1
SCHEMBL21693103 0.94 ALOX5 (0.44) ALOX5ADRA2CPRKDCADORA2AADORA1
SCHEMBL21693130 0.93 ALOX5 (0.48) ALOX5ADRA2CPRKDCADORA2AADORA1
SCHEMBL21691569 0.92 ALOX5 (0.48) ALOX5ADRA2CPRKDCADORA2AADORA1
SCHEMBL21691666 0.92 ALOX5 (0.51) ALOX5PRKDCADORA2AADORA1PARP14
SCHEMBL21691686 0.91 ALOX5 (0.50) ALOX5ADRA2CPRKDCADORA2APDK2
SCHEMBL21691687 0.90 ALOX5 (0.48) ALOX5ADRA2CPRKDCADORA2APDK2
SCHEMBL21692231 0.90 MAP4K4 (0.39) ALOX5ADRA2CADORA2AADORA1ADORA2B
SCHEMBL21692569 0.89 ALOX5 (0.45) ALOX5ADRA2CPRKDCPARP14
SCHEMBL21691711 0.89 ADRA2C (0.38) ALOX5ADRA2CADORA2AADORA1ADORA2B

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 ALOX5 2220/4885ADRA2C 776/4885PRKDC 4839/4885
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 ALOX5 2220/4885ADRA2C 776/4885PRKDC 4839/4885

“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.