SCHEMBL824944

SCHEMBL824944

Cc1ccc(N2CCOCC2)cc1C(=O)N(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.53
GAA P10253 2/20 0.53
PRKDC P78527 3/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 4/20 0.49
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
TYK2 P29597 1/20 0.48
JAK3 P52333 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
PIK3CD O00329 1/20 0.45
PIK3CA P42336 1/20 0.45
PIK3CB P42338 1/20 0.45
PIK3CG P48736 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
AKR1C3 P42330 1/20 0.44
KMO O15229 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL3228970 0.82 MAPT (0.56) MAPTGAAPRKDCMEN1KMT2A
SCHEMBL5059649 0.82 PRKDC (0.55) MAPTGAAPRKDCMEN1KMT2A
SCHEMBL824738 0.80 MAPT (0.53) MAPTGAAPRKDCMEN1KMT2A
SCHEMBL828075 0.75 KMO (0.68) MAPTGAAPRKDCMEN1KMT2A
SCHEMBL824727 0.75 ALDH1A1 (0.67) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL14339148 0.75 PRKDC (0.73) MAPTGAAPRKDCMEN1KMT2A
SCHEMBL5037937 0.75 PRKDC (0.60) MAPTGAAPRKDCMEN1KMT2A
SCHEMBL15801109 0.75 PRKDC (0.78) MAPTGAAPRKDCALDH1A1PIK3CD
SCHEMBL1911932 0.74 MAPT (0.69) MAPTGAAPRKDCMEN1KMT2A
SCHEMBL5055231 0.74 MAPK10 (0.47) MAPTGAAPRKDCMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1724262-B1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-05-02 EP disclosed
EP-1724262-B1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-05-02 EP disclosed
US-8143274-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-03-27 US disclosed
US-8143274-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-03-27 US disclosed
US-8143274-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-03-27 US disclosed
US-20070185160-A1 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-08-09 US disclosed
US-20070185160-A1 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-08-09 US disclosed
US-20070185160-A1 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-08-09 US disclosed
EP-1724262-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-11-22 EP 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-20070185160-A1 1-(2H)-isoquinolone derivative NR3C2, NR1H4, NR3C1 MAPT 3539/4885GAA 4558/4885PRKDC 4879/4885

“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.