SCHEMBL21693097

SCHEMBL21693097

N#Cc1ccccc1-c1cc(-c2cccc3c2sc2ccccc23)cc(-c2ccc3sc4ccccc4c3c2)c1C#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.48
PRKDC P78527 2/20 0.36
CYP1A2 P05177 5/20 0.33
CYP3A4 P08684 5/20 0.33
ALDH1A1 P00352 4/20 0.33
HSD17B10 Q99714 4/20 0.33
CLK4 Q9HAZ1 4/20 0.33
MAPK1 P28482 2/20 0.33
PARP14 Q460N5 1/20 0.33
HPGD P15428 1/20 0.33
ESR2 Q92731 1/20 0.33
USP2 O75604 3/20 0.32
CYP2C19 P33261 3/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 2/20 0.32
CYP2C9 P11712 2/20 0.32
TSHR P16473 2/20 0.32
KMT2A Q03164 2/20 0.32
ALOX15 P16050 1/20 0.32
HIF1A Q16665 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
SCHEMBL21693096 0.96 ALOX5 (0.45) ALOX5PRKDCCYP1A2CYP3A4ALDH1A1
SCHEMBL21693128 0.93 ALOX5 (0.48) ALOX5PRKDCCYP1A2CYP3A4ALDH1A1
SCHEMBL21692558 0.93 ALOX5 (0.48) ALOX5PRKDCCYP1A2CYP3A4ALDH1A1
SCHEMBL21691681 0.92 ALOX5 (0.43) ALOX5PRKDCCYP1A2CYP3A4ALDH1A1
SCHEMBL21691570 0.91 ALOX5 (0.48) ALOX5PRKDCPARP14ESR2PIM1
SCHEMBL21692568 0.90 ALOX5 (0.44) ALOX5PRKDCCYP1A2CYP3A4ALDH1A1
SCHEMBL21691688 0.90 ALOX5 (0.51) ALOX5PRKDCCYP1A2CYP3A4ALDH1A1
SCHEMBL21691666 0.90 ALOX5 (0.51) ALOX5PRKDCALDH1A1HSD17B10MAPK1
SCHEMBL21691496 0.90 CYP1A2 (0.36) ALOX5CYP1A2CYP3A4ALDH1A1HSD17B10
SCHEMBL21691504 0.90 ESR2 (0.41) ALOX5CYP1A2CYP3A4ALDH1A1HSD17B10

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 4839/4885CYP1A2 1250/4885
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 4839/4885CYP1A2 1250/4885

“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.