SCHEMBL21297979

SCHEMBL21297979

C=c1ncc2cccc3ncc(C)c1c23

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.38
KDM4E B2RXH2 2/20 0.36
GPR3 P46089 1/20 0.36
PARP1 P09874 2/20 0.33
ELANE P08246 2/20 0.33
CYP2A6 P11509 1/20 0.32
HTR1A P08908 2/20 0.32
DRD2 P14416 2/20 0.32
NPC1 O15118 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
RAB9A P51151 2/20 0.32
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
NQO2 P16083 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30
TNNI3 P19429 1/20 0.30

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
SCHEMBL21297982 0.79 CYP1A2 (0.38) CYP1A2KDM4EGPR3PARP1ELANE
SCHEMBL4454194 0.79 KDM4E (0.52) CYP1A2KDM4EGPR3CYP2A6HTR1A
SCHEMBL21297989 0.79 ALDH1A1 (0.47) CYP1A2KDM4ECYP2A6SMN1; SMN2MEN1
SCHEMBL21297990 0.76 CYP1A2 (0.38) CYP1A2KDM4EGPR3PARP1ELANE
SCHEMBL21297928 0.76 SMN1; SMN2 (0.30) SMN1; SMN2ALDH1A1
SCHEMBL21297986 0.74 CYP1A2 (0.36) CYP1A2KDM4ECYP2A6ALDH1A1HPGD
SCHEMBL21297984 0.74 PARP1 (0.37) CYP1A2PARP1ELANENPC1SMN1; SMN2
SCHEMBL29521539 0.73 CYP1A2 (0.52) CYP1A2KDM4EGPR3HTR1ADRD2
SCHEMBL5466768 0.73 CYP1A2 (0.52) CYP1A2KDM4EGPR3HTR1ADRD2
SCHEMBL29580557 0.73 CYP1A2 (0.52) CYP1A2KDM4EGPR3HTR1ADRD2

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-20230192695-A1 THERMALLY ASSISTED DELAYED FLUORESCENT MATERIALS WITH TRIAD-TYPE MATERIALS UNIV ARIZONA STATE (US) 2023-06-22 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 (4 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-20200071330-A1 THERMALLY ASSISTED DELAYED FLUORESCENT MATERIALS WITH TRIAD-TYPE MATERIALS TTPA, TTC14, AAAS CYP1A2 4307/4885KDM4E 3740/4885GPR3 4053/4885
US-20230192695-A1 THERMALLY ASSISTED DELAYED FLUORESCENT MATERIALS WITH TRIAD-TYPE MATERIALS TTPA, TTC14, AAAS CYP1A2 4307/4885KDM4E 3740/4885GPR3 4053/4885
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 CYP1A2 647/4885KDM4E 731/4885GPR3 2219/4885
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 CYP1A2 902/4885KDM4E 2046/4885GPR3 2067/4885

“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.