SCHEMBL17059947

SCHEMBL17059947

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

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 12/20 0.76
▸ MAPK7 Q13164 12/20 0.76
▸ DCLK1 O15075 4/20 0.43
▸ KCNH2 Q12809 1/20 0.42
▸ BRD2 P25440 1/20 0.42
▸ EP300 Q09472 1/20 0.42
▸ BRD3 Q15059 1/20 0.42
▸ BRDT Q58F21 1/20 0.42
▸ CREBBP Q92793 1/20 0.42
▸ LRRK2 Q5S007 3/20 0.41
▸ PIM1 P11309 2/20 0.40
▸ CDC7 O00311 1/20 0.40
▸ DAPK3 O43293 1/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ PRKD3 O94806 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ PAK4 O96013 1/20 0.40
▸ PRKACA P17612 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ FLT3 P36888 1/20 0.40

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 1.00 BRD4 (0.76) BRD4MAPK7DCLK1KCNH2BRD2
SCHEMBL17059839 0.91 BRD4 (0.78) BRD4MAPK7DCLK1KCNH2BRD2
SCHEMBL17059834 0.90 MAPK7 (0.73) BRD4MAPK7DCLK1KCNH2BRD2
SCHEMBL17059926 0.87 MAPK7 (0.82) BRD4MAPK7DCLK1KCNH2BRD2
SCHEMBL18369858 0.86 MAPK7 (1.00) BRD4MAPK7DCLK1KCNH2BRD2
SCHEMBL17059803 0.86 MAPK7 (1.00) BRD4MAPK7DCLK1KCNH2BRD2
SCHEMBL18369908 0.86 MAPK7 (0.80) BRD4MAPK7DCLK1KCNH2BRD2
SCHEMBL17059837 0.86 MAPK7 (1.00) BRD4MAPK7DCLK1KCNH2BRD2
SCHEMBL18379147 0.85 MAPK7 (0.79) BRD4MAPK7DCLK1KCNH2BRD2
SCHEMBL18379209 0.85 MAPK7 (0.79) BRD4MAPK7DCLK1KCNH2BRD2

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 58/4885DCLK1 3272/4885

“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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