SCHEMBL21790959

SCHEMBL21790959

N#Cc1cc2c(c(C#N)c1C#N)c1cc3cc(-c4ccc5c(c4)nc4c6cc7ccc(-c8ccc9c(c8)nc8c%10cc%11ccccc%11cc%10c%10c%11ccccc%11ccc%10n98)cc7cc6c6ccc7ccccc7c6n54)ccc3cc1c1nc3ccccc3n21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.33
ALDH1A1 P00352 6/20 0.33
PRF1 P14222 6/20 0.33
GAA P10253 4/20 0.33
MAPT P10636 3/20 0.33
POLB P06746 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
GLA P06280 1/20 0.33
XBP1 P17861 1/20 0.33
LMNA P02545 3/20 0.33
HPGD P15428 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MCL1 Q07820 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
KLK7 P49862 1/20 0.32

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
SCHEMBL21298040 0.82 KDM4E (0.45) KDM4EALDH1A1PRF1GAAMAPT
SCHEMBL21791064 0.80 KDM4E (0.33) KDM4EALDH1A1PRF1GAAMAPT
SCHEMBL21298045 0.80 HPGD (0.38) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL21298222 0.80 KDM4E (0.44) KDM4EALDH1A1GAAMAPTPOLB
SCHEMBL21297987 0.79 KDM4E (0.43) KDM4EALDH1A1GAAMAPTPOLB
SCHEMBL22722046 0.75 KDM4E (0.38) KDM4EALDH1A1PRF1GAAMAPT
SCHEMBL19959762 0.75 KDM4E (0.48) KDM4EALDH1A1GAAMAPTPOLB
SCHEMBL19959763 0.74 KDM4E (0.49) KDM4EALDH1A1GAAMAPTPOLB
SCHEMBL21790958 0.73 PRF1 (0.36) KDM4EALDH1A1PRF1GAAMAPT
SCHEMBL21298044 0.72 KDM4E (0.47) KDM4EALDH1A1PRF1GAAMAPT

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 KDM4E 3740/4885ALDH1A1 2839/4885PRF1 1454/4885

“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.