SCHEMBL21297870

SCHEMBL21297870

c1ccc2c(c1)cn1c3nccnc3c3c4ccccc4c4ccccc4c3c21

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 1/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 2/20 0.32
CYP3A4 P08684 1/20 0.32
APEX1 P27695 1/20 0.32
MAPK1 P28482 1/20 0.32
PMP22 Q01453 1/20 0.32
KDM4E B2RXH2 2/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL21791079 0.84 CHEK1 (0.32) ALDH1A1CYP1A2THRBHPGDHSD17B10
SCHEMBL21298304 0.84 MAPT (0.37) ALDH1A1HPGDHSD17B10MAPTLMNA
SCHEMBL21297873 0.83 ALDH1A1 (0.38) ALDH1A1CYP1A2THRBHPGDHSD17B10
SCHEMBL21791247 0.82 CYP3A4 (0.36) ALDH1A1HPGDHSD17B10MAPTLMNA
SCHEMBL21297869 0.81 CHEK1 (0.38) ALDH1A1CYP1A2THRBHPGDHSD17B10
SCHEMBL21298503 0.79 KMT2A (0.40) ALDH1A1CYP1A2THRBHPGDHSD17B10
SCHEMBL21791080 0.79 ALDH1A1 (0.34) ALDH1A1LMNAKDM4E
SCHEMBL21298403 0.75 ALDH1A1 (0.43) ALDH1A1CYP1A2THRBHPGDHSD17B10
SCHEMBL21298336 0.74 PDE3B (0.35)
SCHEMBL21917740 0.74 KDM4E (0.40) ALDH1A1HPGDMAPTLMNACYP3A4

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 2839/4885CYP1A2 4307/4885THRB 3558/4885
US-20200071330-A1 THERMALLY ASSISTED DELAYED FLUORESCENT MATERIALS WITH TRIAD-TYPE MATERIALS TTPA, TTC14, AAAS ALDH1A1 2839/4885CYP1A2 4307/4885THRB 3558/4885
US-20230192695-A1 THERMALLY ASSISTED DELAYED FLUORESCENT MATERIALS WITH TRIAD-TYPE MATERIALS TTPA, TTC14, AAAS ALDH1A1 2839/4885CYP1A2 4307/4885THRB 3558/4885
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 566/4885CYP1A2 647/4885THRB 2135/4885
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 326/4885CYP1A2 902/4885THRB 4304/4885

“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.