SCHEMBL824828

SCHEMBL824828

CN(C)Nc1ccc2cc(-c3ccccc3C(F)(F)F)[nH]c(=O)c2c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 5/20 0.39
PDE10A Q9Y233 1/20 0.39
FFAR1 O14842 1/20 0.38
KIT P10721 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GLA P06280 2/20 0.37
GAA P10253 2/20 0.37
C1R P00736 1/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
TNKS O95271 1/20 0.36
ACP1 P24666 1/20 0.36
STK10 O94804 3/20 0.35
SLK Q9H2G2 3/20 0.35
NPY5R Q15761 1/20 0.34
NOTUM Q6P988 1/20 0.34

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
SCHEMBL824963 0.87 AR (0.45) PIK3C3PDE10AFFAR1KITKDM4E
SCHEMBL2709079 0.82 FFAR1 (0.45) PIK3C3PDE10AFFAR1KITALDH1A1
SCHEMBL828155 0.81 FFAR1 (0.41) PDE10AFFAR1KITALDH1A1C1R
SCHEMBL824754 0.81 KIT (0.42) PIK3C3PDE10AFFAR1KIT
SCHEMBL2710082 0.81 FFAR1 (0.42) PIK3C3PDE10AFFAR1KITKDM4E
SCHEMBL2710083 0.81 FFAR1 (0.42) PIK3C3PDE10AFFAR1KITKDM4E
SCHEMBL824921 0.81 FFAR1 (0.42) PDE10AFFAR1KITKDM4EALDH1A1
SCHEMBL3545503 0.81 PDE10A (0.41) PIK3C3PDE10AFFAR1KITKDM4E
SCHEMBL824762 0.81 PDE10A (0.40) PIK3C3PDE10AFFAR1KITKDM4E
SCHEMBL3544383 0.79 PDE10A (0.39) PDE10AFFAR1KITKDM4EALDH1A1

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 4269/4885PDE10A 3212/4885FFAR1 452/4885

“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.