SCHEMBL22823945

SCHEMBL22823945

N#Cc1ccc(C#N)c(-c2c3cc4c(cc3c(-c3cc(C#N)ccc3C#N)c3c5cccc6cccc(c23)c65)c2cccc3cccc4c32)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CLK1 P49759 1/20 0.34
DYRK1A Q13627 1/20 0.34
AR P10275 1/20 0.33
GSK3B P49841 2/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
STK10 O94804 1/20 0.32
SLK Q9H2G2 1/20 0.32
FNTA P49354 2/20 0.32
FNTB P49356 2/20 0.32
PGGT1B P53609 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL22823944 0.89 CA1 (0.38) CA1CA2CLK1DYRK1AAR
SCHEMBL23081523 0.84 CA1 (0.42) CA1CA2CLK1DYRK1AKDM4E
SCHEMBL22823946 0.81 CA1 (0.36) CA1CA2CLK1DYRK1AKDM4E
SCHEMBL23081547 0.80 CA1 (0.38) CA1CA2ARALDH1A1HPGD
SCHEMBL22823943 0.79 CA1 (0.42) CA1CA2CLK1DYRK1AKDM4E
SCHEMBL23081548 0.79 CA1 (0.39) CA1CA2CLK1DYRK1AAR
SCHEMBL23081250 0.78 CYP1A2 (0.35) CA1CA2CLK1DYRK1AKDM4E
SCHEMBL22823939 0.78 ALDH1A1 (0.40) CA1CA2CLK1DYRK1AKDM4E
SCHEMBL23081237 0.78 CLK4 (0.42) CA1CA2KDM4EALDH1A1MAPT
SCHEMBL23081323 0.78 CA1 (0.37) CA1CA2CLK1DYRK1ASTK10

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 3158/4885CLK1 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.