SCHEMBL23081523

SCHEMBL23081523

N#Cc1ccccc1-c1c2cc3c(cc2c(-c2ccccc2C#N)c2c4cccc5cccc(c12)c54)c1cccc2cccc3c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CLK1 P49759 1/20 0.39
DYRK1A Q13627 1/20 0.39
MCL1 Q07820 1/20 0.39
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 4/20 0.38
MAPK1 P28482 4/20 0.38
HPGD P15428 3/20 0.38
TSHR P16473 3/20 0.38
CASP1 P29466 2/20 0.38
HIF1A Q16665 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
PTGES O14684 1/20 0.36
JAK2 O60674 1/20 0.36
TBXAS1 P24557 1/20 0.36
CYP1A2 P05177 2/20 0.36
THRB P10828 1/20 0.36
ESR2 Q92731 1/20 0.36
PDK2 Q15119 1/20 0.35

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
SCHEMBL22823939 0.93 ALDH1A1 (0.40) CA1CA2CLK1DYRK1AMCL1
SCHEMBL21888314 0.90 ALDH1A1 (0.41) CA1CA2CLK1DYRK1AMCL1
SCHEMBL17487140 0.89 ALDH1A1 (0.41) CA1CA2CLK1DYRK1AMCL1
SCHEMBL23349024 0.89 CA1 (0.39) CA1CA2CLK1DYRK1AMCL1
SCHEMBL17487136 0.89 ALDH1A1 (0.41) CA1CA2CLK1DYRK1AMCL1
SCHEMBL22823943 0.86 CA1 (0.42) CA1CA2CLK1DYRK1AMCL1
SCHEMBL22823945 0.84 CA1 (0.38) CA1CA2CLK1DYRK1AMCL1
SCHEMBL22823944 0.84 CA1 (0.38) CA1CA2CLK1DYRK1AMCL1
SCHEMBL23081250 0.82 CYP1A2 (0.35) CA1CA2CLK1DYRK1AMCL1
SCHEMBL22824164 0.81 CA1 (0.40) CA1CA2CLK1DYRK1AMCL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210070677-A1 ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING ELEMENT, DISPLAY APPARATUS, PHOTOELECTRIC CONVERSION APPARATUS, ELECTRONIC APPARATUS, LIGHTING APPARATUS, MOVING OBJECT, AND EXPOSURE LIGHT SOURCE CANON KABUSHIKI KAISHA (JP) 2021-03-11 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 (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-20210070677-A1 ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING ELEMENT, DISPLAY APPARATUS, PHOTOELECTRIC CONVERSION APPARATUS, ELECTRONIC APPARATUS, LIGHTING APPARATUS, MOVING OBJECT, AND EXPOSURE LIGHT SOURCE CYP1A1, AOX1, CYP1B1 CA1 3166/4885CA2 3158/4885CLK1 2382/4885

“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.