SCHEMBL21692568

SCHEMBL21692568

N#Cc1cccc(C#N)c1-c1cc(-c2ccc3sc4ccccc4c3c2)c(C#N)c(-c2cccc3c2sc2ccccc23)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
PRKDC P78527 7/20 0.35
PARP14 Q460N5 1/20 0.35
PIK3CD O00329 2/20 0.33
PIK3CB P42338 2/20 0.33
BRD4 O60885 1/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
PIK3CG P48736 1/20 0.33
KCNH2 Q12809 1/20 0.33
BRDT Q58F21 1/20 0.33
SLC22A12 Q96S37 1/20 0.31
CYP1A2 P05177 4/20 0.31
CYP3A4 P08684 4/20 0.31
ALDH1A1 P00352 3/20 0.31
HSD17B10 Q99714 3/20 0.31
HPGD P15428 3/20 0.31
PIM1 P11309 1/20 0.31
MAPK1 P28482 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31

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
SCHEMBL21692398 0.94 ALOX5 (0.44) ALOX5PRKDCPARP14PIK3CDPIK3CB
SCHEMBL21693096 0.92 ALOX5 (0.45) ALOX5PRKDCPARP14CYP1A2CYP3A4
SCHEMBL21692558 0.92 ALOX5 (0.48) ALOX5PRKDCPARP14PIK3CDPIK3CB
SCHEMBL21692556 0.92 ALOX5 (0.43) ALOX5PRKDCPARP14PIK3CDPIK3CB
SCHEMBL21691635 0.92 ALOX5 (0.45) ALOX5PRKDCPARP14PIK3CDPIK3CB
SCHEMBL21692993 0.92 ALOX5 (0.36) ALOX5SLC22A12CYP1A2CYP3A4ALDH1A1
SCHEMBL21693097 0.90 ALOX5 (0.48) ALOX5PRKDCPARP14SLC22A12CYP1A2
SCHEMBL21692598 0.89 ALOX5 (0.34) ALOX5BRDTSLC22A12CYP1A2CYP3A4
SCHEMBL21691681 0.89 ALOX5 (0.43) ALOX5PRKDCPARP14PIK3CDPIK3CB
SCHEMBL21691693 0.89 ALDH1A1 (0.35) ALOX5SLC22A12CYP1A2CYP3A4ALDH1A1

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 2220/4885PRKDC 4839/4885PARP14 1715/4885
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 2220/4885PRKDC 4839/4885PARP14 1715/4885

“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.