SCHEMBL21791069

SCHEMBL21791069

N#Cc1c(C#N)c(C#N)c2c3cc4ccccc4cc3c3ccccc3c2c1C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 2/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
CYP1A2 P05177 3/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
THRB P10828 1/20 0.40
ANPEP P15144 1/20 0.39
MAP2K2 P36507 2/20 0.38
MAP2K1 Q02750 2/20 0.38
PDE9A O76083 1/20 0.37
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
CYP3A4 P08684 1/20 0.36
CLK1 P49759 1/20 0.36

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
SCHEMBL21298073 0.87 CA1 (0.42) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL21297833 0.81 CA1 (0.43) ALDH1A1KDM4EGAACYP1A2HPGD
SCHEMBL21791068 0.79 HPRT1 (0.46) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL2580951 0.79 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL4849377 0.79 ALDH1A1 (0.55) ALDH1A1CYP1A2HPGDHSD17B10THRB
SCHEMBL21298481 0.79 ANPEP (0.45) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL21298326 0.79 ALDH1A1 (0.41) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL21298495 0.78 KDM4E (0.38) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL21298362 0.78 CA1 (0.41) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL21791166 0.77 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1GAAMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200071330-A1 THERMALLY ASSISTED DELAYED FLUORESCENT MATERIALS WITH TRIAD-TYPE MATERIALS UNITED STATES DEPARTMENT OF ENERGY 2020-03-05 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 (1 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 ALDH1A1 2839/4885KDM4E 3740/4885MEN1 2254/4885

“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.