SCHEMBL22823943

SCHEMBL22823943

N#Cc1cccc(C#N)c1-c1c2cc3c(cc2c(-c2c(C#N)cccc2C#N)c2c4cccc5cccc(c12)c54)c1cccc2cccc3c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
HTT P42858 1/20 0.37
PTGES O14684 1/20 0.36
JAK2 O60674 1/20 0.36
TBXAS1 P24557 1/20 0.36
CLK1 P49759 1/20 0.36
DYRK1A Q13627 1/20 0.36
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 2/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MCL1 Q07820 2/20 0.35
ERBB2 P04626 1/20 0.33
FYN P06241 1/20 0.33
MAOA P21397 1/20 0.33
ACHE P22303 1/20 0.33
AHR P35869 1/20 0.33
KDM4E B2RXH2 3/20 0.33

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
SCHEMBL22824164 0.91 CA1 (0.40) CA1CA2HTTPTGESJAK2
SCHEMBL22823946 0.89 CA1 (0.36) CA1CA2HTTCLK1DYRK1A
SCHEMBL23081523 0.86 CA1 (0.42) CA1CA2HTTPTGESJAK2
SCHEMBL22823939 0.80 ALDH1A1 (0.40) CA1CA2PTGESJAK2TBXAS1
SCHEMBL22823945 0.79 CA1 (0.38) CA1CA2HTTCLK1DYRK1A
SCHEMBL22823944 0.79 CA1 (0.38) CA1CA2HTTCLK1DYRK1A
SCHEMBL23081541 0.78 CA1 (0.35) CA1CA2HTTALDH1A1CYP1A2
SCHEMBL23081547 0.78 CA1 (0.38) CA1CA2ALDH1A1CYP1A2THRB
SCHEMBL23081549 0.78 CA1 (0.37) CA1CA2HTTCLK1DYRK1A
SCHEMBL23081250 0.77 CYP1A2 (0.35) CA1CA2CLK1DYRK1AALDH1A1

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 2 patents. 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
US-20200403173-A1 ORGANIC LIGHT EMITTING ELEMENT, AND DISPLAY APPARATUS, IMAGE PICKUP APPARATUS, ILLUMINATION APPARATUS, AND MOVING OBJECT INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2020-12-24 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 3158/4885HTT 4191/4885

“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.