SCHEMBL18379111

SCHEMBL18379111

CN1C(=O)c2ccccc2N(C)c2cc(N)ncc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK7 Q13164 6/20 0.54
▸ BRD4 O60885 4/20 0.54
▸ TTR P02766 2/20 0.47
▸ CES1 P23141 1/20 0.47
▸ NR1H2 P55055 2/20 0.46
▸ NR1H3 Q13133 2/20 0.46
▸ PIK3CD O00329 3/20 0.44
▸ AURKA O14965 3/20 0.44
▸ PIK3C2G O75747 3/20 0.44
▸ PIK3CG P48736 3/20 0.44
▸ AURKB Q96GD4 3/20 0.44
▸ DCLK1 O15075 3/20 0.44
▸ LRRK2 Q5S007 3/20 0.44
▸ MAPT P10636 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ DRD2 P14416 2/20 0.43
▸ HTR6 P50406 2/20 0.43

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
SCHEMBL17059804 0.85 MAPK7 (0.54) MAPK7BRD4TTRCES1NR1H2
SCHEMBL22137443 0.84 MAPK7 (0.55) MAPK7BRD4TTRCES1NR1H2
SCHEMBL18369919 0.79 MAPK7 (0.56) MAPK7BRD4PIK3CDAURKAPIK3C2G
SCHEMBL12059596 0.77 TTR (0.69) TTRCES1NR1H2NR1H3LRRK2
SCHEMBL18369886 0.77 MAPK7 (0.57) MAPK7BRD4TTRCES1PIK3CD
SCHEMBL16127516 0.77 TTR (0.75) TTRCES1NR1H2NR1H3LRRK2
SCHEMBL10098766 0.75 DCLK1 (0.58) MAPK7BRD4TTRCES1PIK3CD
SCHEMBL18369826 0.74 MAPK7 (0.54) MAPK7BRD4PIK3CDAURKAPIK3C2G
SCHEMBL17059849 0.74 MAPK7 (0.72) MAPK7BRD4PIK3CDAURKAPIK3C2G
SCHEMBL18369845 0.74 MAPK7 (0.54) MAPK7BRD4DCLK1LRRK2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPK7 58/4885BRD4 4/4885TTR 4074/4885

“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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