SCHEMBL21704891

SCHEMBL21704891

N#Cc1ccccc1-c1c2c(c(-c3ccccc3C#N)c3cc4ccccc4cc13)-c1ccc3c4ccc5c6c(ccc(c7ccc-2c1c73)c46)c1c(-c2ccccc2)c2cccc3c4ccccc4c(c23)c51

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.36
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
PTGES O14684 1/20 0.32
JAK2 O60674 1/20 0.32
TBXAS1 P24557 1/20 0.32
ESR2 Q92731 3/20 0.32
ESR1 P03372 2/20 0.32
PIM1 P11309 2/20 0.31
MAOA P21397 3/20 0.31
MAOB P27338 3/20 0.31
CLK1 P49759 1/20 0.31

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
SCHEMBL21705078 0.85 ABCG2 (0.34) KDM4EKMT2AGABRG2GABRB3GABRA5
SCHEMBL21704887 0.83 CYP1A2 (0.36) MAPK1ESR2ESR1MAOA
SCHEMBL21705052 0.80 ESR1 (0.32) CA1CA2ESR2ESR1
SCHEMBL21704888 0.80 SMN1; SMN2 (0.40) KDM4EMAPTKMT2A
SCHEMBL21704893 0.79 CYP1A2 (0.37) ESR2ESR1
SCHEMBL21705051 0.79 GPR84 (0.35) KDM4EESR2ESR1XDH
SCHEMBL21705050 0.79 ADORA2A (0.32) KDM4EESR2ESR1PIM1
SCHEMBL21704892 0.79 CYP1A2 (0.33) ESR2ESR1
SCHEMBL21704897 0.77 ESR1 (0.35) KDM4EMAPTMAPK1KMT2AESR2
SCHEMBL21888314 0.77 ALDH1A1 (0.41) MCL1MAPK1CA1CA2PTGES

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-11370733-B2 Organic compound, organic light-emitting element, display device, imaging device, electronic device, illumination device, and moving object CANON KABUSHIKI KAISHA (JP) 2022-06-28 US disclosed
US-20200048171-A1 ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING ELEMENT, DISPLAY DEVICE, IMAGING DEVICE, ELECTRONIC DEVICE, ILLUMINATION DEVICE, AND MOVING OBJECT CANON KABUSHIKI KAISHA (JP) 2020-02-13 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-20200048171-A1 ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING ELEMENT, DISPLAY DEVICE, IMAGING DEVICE, ELECTRONIC DEVICE, ILLUMINATION DEVICE, AND MOVING OBJECT OCIAD1, L1CAM, SPIN4 MCL1 2949/4885KDM4E 2310/4885MAPT 1934/4885
US-11370733-B2 Organic compound, organic light-emitting element, display device, imaging device, electronic device, illumination device, and moving object OCIAD1, L1CAM, SPIN4 MCL1 2949/4885KDM4E 2310/4885MAPT 1934/4885

“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.