SCHEMBL17059849

SCHEMBL17059849

CN1C(=O)c2ccccc2N(C)c2cc(N[C@H]3C[C@H](N)C3)ncc21

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK7 Q13164 13/20 0.72
▸ BRD4 O60885 10/20 0.72
▸ KCNH2 Q12809 1/20 0.42
▸ DCLK1 O15075 5/20 0.39
▸ LRRK2 Q5S007 4/20 0.39
▸ PIK3CD O00329 3/20 0.39
▸ AURKA O14965 3/20 0.39
▸ PIK3C2G O75747 3/20 0.39
▸ PIK3CG P48736 3/20 0.39
▸ AURKB Q96GD4 3/20 0.39
▸ BRD2 P25440 1/20 0.38
▸ EP300 Q09472 1/20 0.38
▸ BRD3 Q15059 1/20 0.38
▸ BRDT Q58F21 1/20 0.38
▸ CREBBP Q92793 1/20 0.38
▸ GAK O14976 1/20 0.37
▸ TNK2 Q07912 1/20 0.37
▸ TNK1 Q13470 1/20 0.37
▸ DCLK2 Q8N568 1/20 0.37
▸ NUAK1 O60285 2/20 0.37

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
SCHEMBL17059925 0.93 MAPK7 (0.74) MAPK7BRD4KCNH2DCLK1LRRK2
SCHEMBL18369908 0.90 MAPK7 (0.80) MAPK7BRD4KCNH2DCLK1LRRK2
SCHEMBL17059916 0.89 MAPK7 (0.82) MAPK7BRD4KCNH2DCLK1LRRK2
SCHEMBL17059897 0.89 MAPK7 (0.82) MAPK7BRD4KCNH2DCLK1LRRK2
SCHEMBL17059926 0.86 MAPK7 (0.82) MAPK7BRD4KCNH2DCLK1LRRK2
SCHEMBL17059920 0.84 MAPK7 (0.88) MAPK7BRD4KCNH2DCLK1LRRK2
SCHEMBL18370039 0.84 MAPK7 (0.88) MAPK7BRD4KCNH2DCLK1LRRK2
SCHEMBL18369932 0.83 MAPK7 (0.77) MAPK7BRD4KCNH2DCLK1LRRK2
SCHEMBL17059837 0.83 MAPK7 (1.00) MAPK7BRD4KCNH2DCLK1LRRK2
SCHEMBL17059803 0.83 MAPK7 (1.00) MAPK7BRD4KCNH2DCLK1LRRK2

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 MAPK7 58/4885BRD4 4/4885KCNH2 4491/4885

“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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