SCHEMBL22945200

SCHEMBL22945200

c1ccc2c(c1)-c1cccc3cccc(c13)N2c1nc(-c2cccc3ccccc23)nc(-c2cccc3c2sc2ccccc23)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.36
PARP14 Q460N5 1/20 0.34
PRKDC P78527 7/20 0.34
PIK3CD O00329 2/20 0.34
PIK3CB P42338 2/20 0.34
POLB P06746 1/20 0.33
HTT P42858 1/20 0.31
PAX8 Q06710 1/20 0.31
PDE6D O43924 1/20 0.31
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
BRD4 O60885 1/20 0.30
PIK3CA P42336 1/20 0.30
MTOR P42345 1/20 0.30
PIK3CG P48736 1/20 0.30
KCNH2 Q12809 1/20 0.30
BRDT Q58F21 1/20 0.30
MAPT P10636 1/20 0.30
CCNC P24863 1/20 0.30
CDK8 P49336 1/20 0.30

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
SCHEMBL22945519 0.96 ALOX5 (0.38) ALOX5PARP14PRKDCPIK3CDPIK3CB
SCHEMBL22945976 0.91 ALOX5 (0.36) ALOX5PARP14PRKDCPIK3CDPIK3CB
SCHEMBL22945522 0.91 PDE6D (0.37) ALOX5PARP14PRKDCPIK3CDPIK3CB
SCHEMBL22944795 0.90 ALOX5 (0.34) ALOX5PARP14PRKDCPIK3CDPIK3CB
SCHEMBL22945194 0.90 ALOX5 (0.36) ALOX5PARP14PRKDCPIK3CDPIK3CB
SCHEMBL22945918 0.89 ALOX5 (0.33) ALOX5PARP14PRKDCPIK3CDPIK3CB
SCHEMBL22945047 0.88 ALOX5 (0.38) ALOX5PARP14PRKDCPIK3CDPIK3CB
SCHEMBL22945565 0.88 ALOX5 (0.35) ALOX5PARP14PRKDCPIK3CDPIK3CB
SCHEMBL22945202 0.87 ALOX5 (0.39) ALOX5PARP14PRKDCPIK3CDPIK3CB
SCHEMBL22944696 0.87 ALOX5 (0.34) ALOX5PARP14PRKDCPIK3CDPIK3CB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11812658-B2 Compound and organic light emitting diode comprising same LG CHEM, LTD. (KR) 2023-11-07 US disclosed
US-11812658-B2 Compound and organic light emitting diode comprising same LG CHEM, LTD. (KR) 2023-11-07 US disclosed
US-20210036236-A1 COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2021-02-04 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-20210036236-A1 COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME DRD1, DRD3, DRD2 ALOX5 386/4885PARP14 2665/4885PRKDC 4810/4885
US-11812658-B2 Compound and organic light emitting diode comprising same DRD1, DRD3, DRD2 ALOX5 386/4885PARP14 2665/4885PRKDC 4810/4885

“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.