SCHEMBL17059839

SCHEMBL17059839

CN1C(=O)c2ccccc2N(C)c2cc(N[C@H]3CC[C@H](NS(N)(=O)=O)CC3)ncc21

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 13/20 0.78
▸ MAPK7 Q13164 12/20 0.78
▸ BRDT Q58F21 2/20 0.43
▸ BRD2 P25440 1/20 0.43
▸ EP300 Q09472 1/20 0.43
▸ BRD3 Q15059 1/20 0.43
▸ CREBBP Q92793 1/20 0.43
▸ DCLK1 O15075 6/20 0.42
▸ LRRK2 Q5S007 5/20 0.42
▸ PIK3CD O00329 3/20 0.42
▸ AURKA O14965 3/20 0.42
▸ PIK3C2G O75747 3/20 0.42
▸ PIK3CG P48736 3/20 0.42
▸ AURKB Q96GD4 3/20 0.42
▸ KCNH2 Q12809 1/20 0.42

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
SCHEMBL18379253 0.91 BRD4 (0.76) BRD4MAPK7BRDTBRD2EP300
SCHEMBL17059947 0.91 BRD4 (0.76) BRD4MAPK7BRDTBRD2EP300
SCHEMBL17059834 0.89 MAPK7 (0.73) BRD4MAPK7BRDTBRD2EP300
SCHEMBL18369858 0.88 MAPK7 (1.00) BRD4MAPK7BRDTBRD2EP300
SCHEMBL17059803 0.88 MAPK7 (1.00) BRD4MAPK7BRDTBRD2EP300
SCHEMBL18369908 0.88 MAPK7 (0.80) BRD4MAPK7BRDTBRD2EP300
SCHEMBL17059837 0.88 MAPK7 (1.00) BRD4MAPK7BRDTBRD2EP300
SCHEMBL17059926 0.86 MAPK7 (0.82) BRD4MAPK7BRDTBRD2EP300
SCHEMBL18379209 0.85 MAPK7 (0.79) BRD4MAPK7BRDTBRD2EP300
SCHEMBL18379147 0.85 MAPK7 (0.79) BRD4MAPK7BRDTBRD2EP300

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-20170008888-A1 HETEROCYCLIC COMPOUNDS ACTIVX BIOSCIENCES, INC. 2017-01-12 — — US disclosed
US-20170008888-A1 HETEROCYCLIC COMPOUNDS ACTIVX BIOSCIENCES, INC. 2017-01-12 — — US disclosed
WO-2015129927-A1 HETEROCYCLIC COMPOUNDS KYORIN PHARMACEUTICAL CO., LTD. (JP) 2015-09-03 — — WO 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-20170008888-A1 HETEROCYCLIC COMPOUNDS BET1, EP300, RBBP5 BRD4 4/4885MAPK7 58/4885BRDT 7/4885

“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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