SCHEMBL18370065

SCHEMBL18370065

CN1C(=O)c2ccccc2N(C)c2cc(Nc3ccc(C(=O)NC(CO)CO)cc3)ncc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 8/20 0.49
▸ MAPK7 Q13164 6/20 0.49
▸ KCNH2 Q12809 1/20 0.48
▸ DCLK1 O15075 5/20 0.40
▸ LRRK2 Q5S007 6/20 0.40
▸ AURKA O14965 4/20 0.40
▸ AURKB Q96GD4 4/20 0.40
▸ PIK3CD O00329 2/20 0.40
▸ PIK3C2G O75747 2/20 0.40
▸ PIK3CG P48736 2/20 0.40
▸ PLK4 O00444 2/20 0.40
▸ AURKC Q9UQB9 2/20 0.40
▸ NUAK1 O60285 1/20 0.40
▸ BRDT Q58F21 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPK14 Q16539 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.36
▸ ADORA1 P30542 1/20 0.36

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
SCHEMBL18369875 0.85 BRD4 (0.64) BRD4MAPK7KCNH2DCLK1LRRK2
SCHEMBL17059952 0.73 MAPK7 (0.51) BRD4MAPK7KCNH2DCLK1LRRK2
SCHEMBL18369924 0.72 MAPK7 (0.59) BRD4MAPK7KCNH2DCLK1LRRK2
SCHEMBL18370115 0.72 DCLK1 (0.50) BRD4MAPK7KCNH2DCLK1LRRK2
SCHEMBL17059911 0.72 BRD4 (0.70) BRD4MAPK7KCNH2DCLK1LRRK2
SCHEMBL18369796 0.72 BRD4 (0.70) BRD4MAPK7KCNH2DCLK1LRRK2
SCHEMBL18369897 0.71 BRD4 (0.65) BRD4MAPK7KCNH2DCLK1LRRK2
SCHEMBL18369886 0.71 MAPK7 (0.57) BRD4MAPK7KCNH2DCLK1LRRK2
SCHEMBL17059908 0.71 MAPK7 (0.52) BRD4MAPK7KCNH2DCLK1LRRK2
SCHEMBL18369861 0.71 MAPK7 (0.53) BRD4MAPK7KCNH2DCLK1LRRK2

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 2 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

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 58/4885KCNH2 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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