SCHEMBL22945609

SCHEMBL22945609

c1ccc2c3c(ccc2c1)-c1cccc2cccc(c12)N3c1nc2ccccc2nc1-c1cccc2sc3ccccc3c12

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
HTR7 P34969 1/20 0.31
HTR6 P50406 1/20 0.31
BRDT Q58F21 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
SCHEMBL22945141 0.89 ALOX5 (0.32) CYP1A2HTR1ADRD2HTR2AHTR7
SCHEMBL21515247 0.88 CYP1A2 (0.36) CYP1A2HTR1ADRD2HTR2AHTR7
SCHEMBL21515422 0.87 CYP1A2 (0.38) CYP1A2
SCHEMBL21515424 0.86 PDE6D (0.31) CYP1A2
SCHEMBL22945035 0.86 PDE6D (0.31) CYP1A2
SCHEMBL22944990 0.86 L3MBTL1 (0.32) CYP1A2BRDT
SCHEMBL21515401 0.86 CYP1A2 (0.33) CYP1A2
SCHEMBL22944903 0.84 CYP1A2 (0.33) CYP1A2BRDT
SCHEMBL21515423 0.84 ALDH1A1 (0.38) CYP1A2
SCHEMBL21515421 0.83 PDE6D (0.39) CYP1A2

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 CYP1A2 206/4885HTR1A 221/4885DRD2 3/4885
US-11812658-B2 Compound and organic light emitting diode comprising same DRD1, DRD3, DRD2 CYP1A2 206/4885HTR1A 221/4885DRD2 3/4885

“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.