SCHEMBL20863643

SCHEMBL20863643

CC(C)(C)c1nc2c(C(F)(F)F)c(CC(C)(C)c3nc4cc(C(F)(F)F)ccc4[nH]3)ccc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1H O95180 2/20 0.37
▸ CACNA1C Q13936 2/20 0.37
▸ CACNA1G O43497 1/20 0.37
▸ KIF11 P52732 3/20 0.33
▸ SCN10A Q9Y5Y9 2/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ CACNA1B Q00975 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ NPBWR1 P48145 3/20 0.31
▸ ATP4A P20648 1/20 0.30
▸ ATP4B P51164 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
SCHEMBL18659836 0.82 CACNA1H (0.43) CACNA1HCACNA1CCACNA1GSCN10ACACNA1B
SCHEMBL10284433 0.81 KIF11 (0.47) KIF11SCN10AKCNH2MEN1KMT2A
SCHEMBL5681855 0.71 NPSR1 (0.59) KIF11KCNH2KDM4EMAPTPOLB
SCHEMBL846855 0.71 SCN10A (0.58) KIF11SCN10AKCNH2KDM4EMAPT
SCHEMBL13896660 0.70 SCN10A (0.44) KIF11SCN10AKCNH2KDM4EMAPT
SCHEMBL13483956 0.70 NPSR1 (0.54) KIF11SCN10AKCNH2KDM4EMAPT
SCHEMBL14336639 0.70 KCNH2 (0.62) KIF11SCN10AKCNH2KDM4EMAPT
SCHEMBL12402382 0.68 SCN10A (0.51) KIF11SCN10AKCNH2ALDH1A1SMN1; SMN2
SCHEMBL2361268 0.67 NPSR1 (0.46) KIF11KCNH2KDM4EMAPTPOLB
SCHEMBL22244260 0.67 ALDH1A1 (0.35) SCN10AKCNH2ALDH1A1SMN1; SMN2L3MBTL1

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-20190100552-A1 INHIBITORS OF PROTEIN METHYLTRANSFERASE DOT1L AND METHODS OF USE THEREOF Epizyme, Inc. 2019-04-04 — — 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-20190100552-A1 INHIBITORS OF PROTEIN METHYLTRANSFERASE DOT1L AND METHODS OF USE THEREOF DOT1L, PRMT1, CARM1 CACNA1H 4007/4885CACNA1C 3848/4885CACNA1G 4130/4885

“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.

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