SCHEMBL10272733

SCHEMBL10272733

CCc1ccc(C(=O)N(C)C)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
KDM4E B2RXH2 3/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
PKM P14618 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
THPO P40225 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
KMT2A Q03164 1/20 0.46
HIF1A Q16665 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 2/20 0.44

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
SCHEMBL16317926 0.84 MAPT (0.49) MAPTL3MBTL1KDM4EMEN1ALDH1A1
SCHEMBL24958930 0.84 PIK3CD (0.43) MAPTL3MBTL1KDM4EMEN1ALDH1A1
SCHEMBL5524906 0.83 L3MBTL1 (0.42) MAPTL3MBTL1KDM4EMEN1ALDH1A1
SCHEMBL286868 0.79 KDM4E (0.69) MAPTL3MBTL1KDM4EMEN1ALDH1A1
SCHEMBL622903 0.79 L3MBTL1 (0.50) MAPTL3MBTL1KDM4EMEN1ALDH1A1
SCHEMBL10066438 0.78 L3MBTL1 (0.49) MAPTL3MBTL1KDM4EMEN1ALDH1A1
SCHEMBL5755133 0.78 L3MBTL1 (0.49) MAPTL3MBTL1KDM4EMEN1ALDH1A1
SCHEMBL11230289 0.77 L3MBTL1 (0.41) MAPTL3MBTL1KDM4EMEN1ALDH1A1
SCHEMBL11230291 0.77 L3MBTL1 (0.41) MAPTL3MBTL1KDM4EMEN1ALDH1A1
SCHEMBL7883731 0.76 MAPK1 (0.62) MAPTL3MBTL1KDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9730939-B2 Heterocyclylamines as PI3K inhibitors INCYTE HOLDINGS CORPORATION (US) 2017-08-15 US disclosed
US-20160024117-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION 2016-01-28 US disclosed
US-20130059835-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2013-03-07 US disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 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-20160024117-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB MAPT 4386/4885L3MBTL1 4477/4885KDM4E 916/4885
US-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 MAPT 3612/4885L3MBTL1 1887/4885KDM4E 258/4885
US-20130059835-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB MAPT 4386/4885L3MBTL1 4477/4885KDM4E 916/4885

“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.