SCHEMBL824585

SCHEMBL824585

CN(CCN1CCOCC1)c1ccc2cc(-c3ccccc3C(F)(F)F)[nH]c(=O)c2c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 1/20 0.42
POLB P06746 1/20 0.41
CYP1A2 P05177 5/20 0.40
CYP2D6 P10635 5/20 0.40
CYP3A4 P08684 4/20 0.40
USP2 O75604 2/20 0.40
NTSR1 P30989 12/20 0.39
CYP2C19 P33261 3/20 0.39
ALOX15 P16050 2/20 0.39
HIF1A Q16665 2/20 0.39
CYP2C9 P11712 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
LMNA P02545 1/20 0.37
PRKDC P78527 1/20 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
SCHEMBL824722 0.87 NTSR1 (0.42) NTSR1
SCHEMBL824711 0.84 NTSR1 (0.44) NTSR1
SCHEMBL824666 0.82 PDE10A (0.41) PIK3C3ALDH1A1PRKDC
SCHEMBL824684 0.77 PIK3C3 (0.49) PIK3C3CYP1A2CYP2D6CYP3A4USP2
SCHEMBL824762 0.77 PDE10A (0.40) PIK3C3CYP1A2CYP2D6CYP2C9ALDH1A1
SCHEMBL824736 0.75 PDE10A (0.39) PIK3C3CYP1A2CYP2D6CYP2C9ALDH1A1
SCHEMBL824920 0.75 AR (0.46) PIK3C3ALDH1A1
SCHEMBL3542803 0.73 PIK3C3 (0.43) PIK3C3LMNAPRKDC
SCHEMBL3539410 0.73 PIK3C3 (0.43) PIK3C3LMNAPRKDC
SCHEMBL3546684 0.73 PIK3C3 (0.43) PIK3C3LMNAPRKDC

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 8 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
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 PIK3C3 4269/4885POLB 3857/4885CYP1A2 51/4885

“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.