SCHEMBL21298060

SCHEMBL21298060

N#Cc1c(C#N)c(C#N)c2c3ccc4ccccc4c3c3ncccc3c2c1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.40
LMNA P02545 3/20 0.39
KDM4E B2RXH2 5/20 0.39
MAPT P10636 5/20 0.39
CCR1 P32246 4/20 0.39
CCR8 P51685 4/20 0.39
CCR5 P51681 2/20 0.39
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PMP22 Q01453 2/20 0.39
GMNN O75496 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MMP2 P08253 1/20 0.39
CYP2D6 P10635 1/20 0.39
MMP9 P14780 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
MMP8 P22894 1/20 0.39
THPO P40225 1/20 0.39

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
SCHEMBL21297926 0.91 CYP3A4 (0.40) CYP3A4LMNAKDM4EMAPTCCR1
SCHEMBL21298448 0.90 KDM4E (0.40) CYP3A4LMNAKDM4EMAPTCCR1
SCHEMBL21298059 0.85 ALDH1A1 (0.38) CYP3A4LMNAKDM4EMAPTCCR1
SCHEMBL21298246 0.85 ALDH1A1 (0.40) CYP3A4LMNAKDM4EMAPTCCR1
SCHEMBL21297925 0.84 ALDH1A1 (0.38) CYP3A4LMNAKDM4EMAPTCCR1
SCHEMBL21297957 0.84 CYP3A4 (0.41) CYP3A4LMNAKDM4EMAPTCCR1
SCHEMBL21297762 0.82 KDM4E (0.39) CYP3A4LMNAKDM4EMAPTCCR1
SCHEMBL21791166 0.81 ALDH1A1 (0.46) CYP3A4KDM4EMAPTTSHRHIF1A
SCHEMBL21298058 0.81 CYP3A4 (0.50) CYP3A4LMNAKDM4EMAPTCCR1
SCHEMBL21298459 0.81 MAPT (0.50) CYP3A4LMNAKDM4EMAPTCCR1

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 3 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-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 (3 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 CYP3A4 2938/4885LMNA 1328/4885KDM4E 3740/4885
US-20230192695-A1 THERMALLY ASSISTED DELAYED FLUORESCENT MATERIALS WITH TRIAD-TYPE MATERIALS TTPA, TTC14, AAAS CYP3A4 2938/4885LMNA 1328/4885KDM4E 3740/4885
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 CYP3A4 320/4885LMNA 244/4885KDM4E 2046/4885

“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.