SCHEMBL22945111

SCHEMBL22945111

c1ccc2c(c1)-c1cccc3cccc(c13)N2c1nc(-c2ccc3c(c2)sc2ccccc23)nc(-c2ccc3oc4ccccc4c3c2)n1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.32
PDE6D O43924 1/20 0.31
CHEK2 O96017 1/20 0.31
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 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
SCHEMBL22944704 0.95 PDE6D (0.31) PRKDCPDE6DCHEK2HSP90AA1HSP90AB1
SCHEMBL22944820 0.94 PRKDC (0.31) PRKDC
SCHEMBL22945595 0.91 PRKDC (0.30) PRKDC
SCHEMBL22944707 0.90 PRKDC (0.30) PRKDC
SCHEMBL22944936 0.90 PDE6D (0.34) PDE6D
SCHEMBL22944727 0.90 PDE6D (0.36) PRKDCPDE6DCHEK2HSP90AA1HSP90AB1
SCHEMBL22944917 0.89 PRKDC (0.35) PRKDCPDE6DCHEK2HSP90AA1HSP90AB1
SCHEMBL22944819 0.89 NPC1 (0.30)
SCHEMBL22944703 0.89 PDE6D (0.31) PRKDCPDE6D
SCHEMBL22945404 0.88 PDE6D (0.39) PDE6D

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 4810/4885PDE6D 342/4885CHEK2 3208/4885
US-11812658-B2 Compound and organic light emitting diode comprising same DRD1, DRD3, DRD2 PRKDC 4810/4885PDE6D 342/4885CHEK2 3208/4885

“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.