SCHEMBL21297927

SCHEMBL21297927

N#Cc1cc2c3cccnc3c3ccc4ccccc4c3c2cc1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 4/20 0.39
CYP3A4 P08684 2/20 0.38
GRM4 Q14833 1/20 0.37
LMNA P02545 3/20 0.37
CLK1 P49759 1/20 0.37
CLK2 P49760 1/20 0.37
CLK3 P49761 1/20 0.37
CDK5 Q00535 1/20 0.37
DYRK1A Q13627 1/20 0.37
CDK5R1 Q15078 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
SLC40A1 Q9NP59 1/20 0.37
ANPEP P15144 1/20 0.37
LRRK2 Q5S007 1/20 0.37
MAPT P10636 4/20 0.37
CCR1 P32246 4/20 0.37
CCR8 P51685 4/20 0.37
HIF1A Q16665 2/20 0.37

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
SCHEMBL21298264 0.94 ALDH1A1 (0.41) ALDH1A1KDM4ECYP3A4GRM4LMNA
SCHEMBL21298430 0.94 KDM4E (0.39) ALDH1A1KDM4ECYP3A4GRM4LMNA
SCHEMBL21298057 0.92 ALDH1A1 (0.43) ALDH1A1KDM4ECYP3A4GRM4LMNA
SCHEMBL21297876 0.89 KDM4E (0.40) ALDH1A1KDM4ECYP3A4GRM4LMNA
SCHEMBL21297925 0.87 ALDH1A1 (0.38) ALDH1A1KDM4ECYP3A4GRM4LMNA
SCHEMBL21298443 0.86 ALDH1A1 (0.39) ALDH1A1KDM4ECYP3A4LMNAANPEP
SCHEMBL21790968 0.85 ALDH1A1 (0.47) ALDH1A1KDM4ECYP3A4LMNAMAPT
SCHEMBL21298322 0.84 ALDH1A1 (0.46) ALDH1A1KDM4ECYP3A4GRM4LMNA
SCHEMBL21298427 0.84 ALDH1A1 (0.46) ALDH1A1KDM4ECYP3A4GRM4LMNA
SCHEMBL21298263 0.83 ALDH1A1 (0.47) ALDH1A1KDM4ECYP3A4CLK1DYRK1A

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 3740/4885CYP3A4 2938/4885
US-20200071330-A1 THERMALLY ASSISTED DELAYED FLUORESCENT MATERIALS WITH TRIAD-TYPE MATERIALS TTPA, TTC14, AAAS ALDH1A1 2839/4885KDM4E 3740/4885CYP3A4 2938/4885
US-20230192695-A1 THERMALLY ASSISTED DELAYED FLUORESCENT MATERIALS WITH TRIAD-TYPE MATERIALS TTPA, TTC14, AAAS ALDH1A1 2839/4885KDM4E 3740/4885CYP3A4 2938/4885
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 731/4885CYP3A4 34/4885
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 2046/4885CYP3A4 320/4885

“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.