SCHEMBL22945507

SCHEMBL22945507

c1ccc2c(c1)-c1cccc3cccc(c13)N2c1nc(-c2cccc3ccccc23)nc(-c2cccc3c2oc2ccccc23)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 6/20 0.36
PIK3CD O00329 2/20 0.36
PIK3CB P42338 2/20 0.36
ALOX5 P09917 2/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 3/20 0.36
GAA P10253 1/20 0.36
TP53 P04637 2/20 0.33
MAPK1 P28482 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
ATM Q13315 2/20 0.32
DRD4 P21917 1/20 0.32
PDE6D O43924 1/20 0.31
ADK P55263 1/20 0.31
TSHR P16473 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
SCHEMBL22945524 0.96 ALOX5 (0.39) PRKDCPIK3CDPIK3CBALOX5KDM4E
SCHEMBL22945165 0.91 ALOX5 (0.36) PRKDCPIK3CDPIK3CBALOX5KDM4E
SCHEMBL22945523 0.91 ALOX5 (0.37) PRKDCPIK3CDPIK3CBALOX5KDM4E
SCHEMBL22945126 0.90 ALOX5 (0.37) PRKDCPIK3CDPIK3CBALOX5KDM4E
SCHEMBL22945095 0.90 ALOX5 (0.37) PRKDCPIK3CDPIK3CBALOX5ALDH1A1
SCHEMBL22945705 0.89 PRKDC (0.34) PRKDCPIK3CDPIK3CBALOX5KDM4E
SCHEMBL22944922 0.88 PRKDC (0.41) PRKDCPIK3CDPIK3CBALOX5KDM4E
SCHEMBL26738454 0.88 PRKDC (0.34) PRKDCPIK3CDPIK3CBALOX5ATM
SCHEMBL22944925 0.88 ALOX5 (0.40) PRKDCPIK3CDPIK3CBALOX5KDM4E
SCHEMBL22945979 0.88 ALOX5 (0.38) PRKDCPIK3CDPIK3CBALOX5KDM4E

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 PRKDC 4810/4885PIK3CD 4301/4885PIK3CB 4706/4885
US-11812658-B2 Compound and organic light emitting diode comprising same DRD1, DRD3, DRD2 PRKDC 4810/4885PIK3CD 4301/4885PIK3CB 4706/4885

“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.