SCHEMBL22945958

SCHEMBL22945958

c1cc(-c2nc3ccccc3nc2-c2ccc3ccccc3c2)cc(N2c3ccc4ccccc4c3-c3cccc4cccc2c34)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 1/20 0.38
MET P08581 1/20 0.36
AKT1 P31749 1/20 0.33
TP53 P04637 2/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
PIM1 P11309 2/20 0.32
ALDH1A1 P00352 3/20 0.31
MAPT P10636 2/20 0.31
LMNA P02545 2/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
NPY1R P25929 1/20 0.31
HTT P42858 1/20 0.31
NPY2R P49146 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPK8 P45983 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
SCHEMBL21515408 0.89 MET (0.36) PDE6DMETPIM1ALDH1A1MAPT
SCHEMBL21515386 0.87 PIM1 (0.35) PDE6DMETAKT1PIM1ALDH1A1
SCHEMBL22945957 0.87 PDE6D (0.49) PDE6DAKT1ALDH1A1MAPTLMNA
SCHEMBL21515230 0.87 PDE6D (0.42) PDE6DMETAKT1TP53ADORA2A
SCHEMBL22945448 0.86 PDE6D (0.51) PDE6DAKT1ALDH1A1MAPTLMNA
SCHEMBL21515467 0.85 PDE6D (0.38) PDE6DMETAKT1TP53ADORA2A
SCHEMBL21515384 0.85 TP53 (0.36) PDE6DTP53ALDH1A1HPGDSMN1; SMN2
SCHEMBL22945525 0.85 PDE6D (0.41) PDE6DMETAKT1TP53ADORA2A
SCHEMBL22945449 0.83 PDE6D (0.40) PDE6DMETALDH1A1LMNAHPGD
SCHEMBL21515396 0.82 PDE6D (0.40) PDE6DAKT1ADORA2AALDH1A1MAPT

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 PDE6D 342/4885MET 2445/4885AKT1 1753/4885
US-11812658-B2 Compound and organic light emitting diode comprising same DRD1, DRD3, DRD2 PDE6D 342/4885MET 2445/4885AKT1 1753/4885

“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.