SCHEMBL23946708

SCHEMBL23946708

COc1ccc(Cl)c(Br)c1-c1cccnc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.42
CASP6 P55212 1/20 0.42
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
G6PD P11413 1/20 0.39
RAB9A P51151 3/20 0.38
MAPT P10636 3/20 0.38
NPC1 O15118 2/20 0.38
HSP90AA1 P07900 3/20 0.37
HSP90AB1 P08238 3/20 0.37
AKT1 P31749 1/20 0.37
DYRK1A Q13627 1/20 0.37
MET P08581 1/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
PLAU P00749 1/20 0.36
FGB P02675 1/20 0.36
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL23946599 0.78 PLAU (0.42) NSD2CASP6CYP1A1CYP1B1RAB9A
SCHEMBL23947106 0.78 NSD2 (0.42) NSD2CASP6CYP1A1CYP1B1G6PD
SCHEMBL23947286 0.78 NPC1 (0.35) NSD2CASP6CYP1A1CYP1B1G6PD
SCHEMBL27799325 0.74 DYRK1A (0.58) G6PDRAB9AMAPTNPC1DYRK1A
SCHEMBL3664647 0.72 ALDH1A1 (0.50) CYP1A1CYP1B1G6PDNPC1MEN1
SCHEMBL3946099 0.69 FYN (0.61)
SCHEMBL5917924 0.69 MEN1 (0.55) CYP1A1CYP1B1MAPTMEN1ALDH1A1
SCHEMBL624316 0.69 DYRK1A (0.48) G6PDRAB9AMAPTNPC1DYRK1A
SCHEMBL9890 0.68
SCHEMBL15672918 0.67 MGAM (0.51) CYP1A1CYP1B1RAB9AMAPTNPC1

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-20230174544-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2023-06-08 US disclosed
US-20230174544-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2023-06-08 US disclosed
WO-2021210911-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME 주식회사 엘지화학 2021-10-21 WO 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 (1 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-20230174544-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME CRY2, CYBA, AHR NSD2 453/4885CASP6 2167/4885CYP1A1 54/4885

“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.