SCHEMBL21298076

SCHEMBL21298076

N#Cc1c(C#N)c(C#N)c2cc3c(cc2c1C#N)c1cccnc1c1c2ccccc2c2ccccc2c31

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 8/20 0.37
ALDH1A1 P00352 3/20 0.36
LRRK2 Q5S007 1/20 0.36
KDM4E B2RXH2 2/20 0.34
PARP1 P09874 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NPC1 O15118 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
KMT2A Q03164 1/20 0.33
CHEK1 O14757 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.31
CCR1 P32246 1/20 0.31
CCR8 P51685 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
SCHEMBL21298477 0.87 KDM4E (0.35) KCNMA1ALDH1A1LRRK2KDM4EL3MBTL1
SCHEMBL21297909 0.85 LRRK2 (0.41) ALDH1A1LRRK2KDM4EPARP1L3MBTL1
SCHEMBL21298246 0.85 ALDH1A1 (0.40) KCNMA1ALDH1A1LRRK2KDM4EL3MBTL1
SCHEMBL21298443 0.81 ALDH1A1 (0.39) KCNMA1ALDH1A1LRRK2KDM4EL3MBTL1
SCHEMBL21298339 0.81 ALDH1A1 (0.44) KCNMA1ALDH1A1LRRK2KDM4EPARP1
SCHEMBL21298471 0.80 KCNMA1 (0.40) KCNMA1ALDH1A1LRRK2KDM4EPARP1
SCHEMBL21298466 0.80 CDK5 (0.37) KCNMA1ALDH1A1LRRK2KDM4EPARP1
SCHEMBL21298320 0.79 HSP90AA1 (0.48) ALDH1A1KDM4EPARP1L3MBTL1NPC1
SCHEMBL21298077 0.78 ALDH1A1 (0.50) ALDH1A1KDM4EPARP1L3MBTL1NPC1
SCHEMBL21298321 0.77 HSP90AA1 (0.50) ALDH1A1KDM4EPARP1L3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192695-A1 THERMALLY ASSISTED DELAYED FLUORESCENT MATERIALS WITH TRIAD-TYPE MATERIALS UNIV ARIZONA STATE (US) 2023-06-22 US disclosed
US-20210024526-A1 THERMALLY ASSISTED DELAYED FLUORESCENT MATERIALS WITH TRIAD-TYPE MATERIALS UNITED STATES DEPARTMENT OF ENERGY 2021-01-28 US disclosed
US-10851106-B2 Substituted benzo[4,5]imidazo[1,2-F]phenanthridines, dibenzo[I.K]benzo[4,5]imidazo[1,2-F]benzofurophenanthridines and dibenzo[I.K]benzo[4,5]imidazo[1,2-F]benzo[4,5]thienophenanthridines as thermally assisted delayed fluorescent materials ARIZONA BOARD OF REGENTS, ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2020-12-01 US disclosed
US-20200071330-A1 THERMALLY ASSISTED DELAYED FLUORESCENT MATERIALS WITH TRIAD-TYPE MATERIALS UNITED STATES DEPARTMENT OF ENERGY 2020-03-05 US disclosed
US-10392387-B2 Substituted benzo[4,5]imidazo[1,2-a]phenanthro[9,10-c][1,8]naphthyridines, benzo[4,5]imidazo[1,2-a]phenanthro[9,10-c][1,5]naphthyridines and dibenzo[f,h]benzo[4,5]imidazo[2,1-a]pyrazino[2,3-c]isoquinolines as thermally assisted delayed fluorescent materials ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2019-08-27 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 (5 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-20210024526-A1 THERMALLY ASSISTED DELAYED FLUORESCENT MATERIALS WITH TRIAD-TYPE MATERIALS TTPA, TTC14, AAAS KCNMA1 765/4885ALDH1A1 2839/4885LRRK2 3510/4885
US-20200071330-A1 THERMALLY ASSISTED DELAYED FLUORESCENT MATERIALS WITH TRIAD-TYPE MATERIALS TTPA, TTC14, AAAS KCNMA1 765/4885ALDH1A1 2839/4885LRRK2 3510/4885
US-20230192695-A1 THERMALLY ASSISTED DELAYED FLUORESCENT MATERIALS WITH TRIAD-TYPE MATERIALS TTPA, TTC14, AAAS KCNMA1 765/4885ALDH1A1 2839/4885LRRK2 3510/4885
US-10851106-B2 Substituted benzo[4,5]imidazo[1,2-F]phenanthridines, dibenzo[I.K]benzo[4,5]imidazo[1,2-F]benzofurophenanthridines and dibenzo[I.K]benzo[4,5]imidazo[1,2-F]benzo[4,5]thienophenanthridines as thermally assisted delayed fluorescent materials KCNK4, TRPC4, TBRG4 KCNMA1 223/4885ALDH1A1 566/4885LRRK2 2247/4885
US-10392387-B2 Substituted benzo[4,5]imidazo[1,2-a]phenanthro[9,10-c][1,8]naphthyridines, benzo[4,5]imidazo[1,2-a]phenanthro[9,10-c][1,5]naphthyridines and dibenzo[f,h]benzo[4,5]imidazo[2,1-a]pyrazino[2,3-c]isoquinolines as thermally assisted delayed fluorescent materials NT5C, HTR3D, IK KCNMA1 520/4885ALDH1A1 326/4885LRRK2 3671/4885

“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.