SCHEMBL21297945

SCHEMBL21297945

N#Cc1nc2c3ccccc3c3c4ccccc4c4ccccc4c3c2nc1C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 4/20 0.38
POLB P06746 3/20 0.38
USP8 P40818 1/20 0.37
USP7 Q93009 1/20 0.37
USP47 Q96K76 1/20 0.37
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP1A2 P05177 1/20 0.35
THRB P10828 1/20 0.35
TYMS P04818 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
ALOX15 P16050 3/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
BCAT1 P54687 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
CACNA1B Q00975 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
SCHEMBL21791070 0.92 ALDH1A1 (0.41) ALDH1A1KDM4EPOLBUSP8USP7
SCHEMBL21298210 0.92 ALDH1A1 (0.41) ALDH1A1KDM4EPOLBUSP8USP7
SCHEMBL31425618 0.90 ALDH1A1 (0.45) ALDH1A1KDM4EPOLBUSP8USP7
SCHEMBL30361020 0.90 ALDH1A1 (0.45) ALDH1A1KDM4EPOLBUSP8USP7
SCHEMBL17948243 0.90 ALDH1A1 (0.45) ALDH1A1KDM4EPOLBUSP8USP7
SCHEMBL31567545 0.90 ALDH1A1 (0.45) ALDH1A1KDM4EPOLBUSP8USP7
SCHEMBL21298250 0.88 ALDH1A1 (0.34) ALDH1A1KDM4EPOLBUSP8USP7
SCHEMBL21298206 0.87 NCOA3 (0.39) ALDH1A1KDM4EPOLBUSP8USP7
SCHEMBL21297900 0.87 HPRT1 (0.39) ALDH1A1KDM4EPOLBUSP8USP7
SCHEMBL13483945 0.86 ALDH1A1 (0.35) ALDH1A1KDM4EPOLBUSP8USP7

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 6 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-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 ALDH1A1 2839/4885KDM4E 3740/4885POLB 4232/4885
US-20200071330-A1 THERMALLY ASSISTED DELAYED FLUORESCENT MATERIALS WITH TRIAD-TYPE MATERIALS TTPA, TTC14, AAAS ALDH1A1 2839/4885KDM4E 3740/4885POLB 4232/4885
US-20230192695-A1 THERMALLY ASSISTED DELAYED FLUORESCENT MATERIALS WITH TRIAD-TYPE MATERIALS TTPA, TTC14, AAAS ALDH1A1 2839/4885KDM4E 3740/4885POLB 4232/4885
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 ALDH1A1 566/4885KDM4E 731/4885POLB 4147/4885
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 ALDH1A1 326/4885KDM4E 2046/4885POLB 2465/4885

“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.