SCHEMBL824792

SCHEMBL824792

O=c1[nH]c(-c2ccccc2C(F)(F)F)cc2ccc(-n3cncn3)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.39
C1R P00736 1/20 0.37
MAPK10 P53779 1/20 0.36
FFAR1 O14842 1/20 0.36
PIK3C3 Q8NEB9 4/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
LRRK2 Q5S007 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
NPY5R Q15761 1/20 0.34
NOTUM Q6P988 1/20 0.34
MDM2 Q00987 2/20 0.34
PLAT P00750 1/20 0.33

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
SCHEMBL824957 0.83 NOTUM (0.46) PDE10AC1RFFAR1PIK3C3CA12
SCHEMBL824739 0.81 CYP1A2 (0.46) PDE10AMEN1ALDH1A1KMT2A
SCHEMBL3542628 0.78 PIK3C3 (0.40) PDE10AC1RFFAR1PIK3C3KDM4E
SCHEMBL824620 0.78 AR (0.48) PDE10AC1RFFAR1PIK3C3KDM4E
SCHEMBL3544031 0.78 PIK3C3 (0.40) PDE10AC1RFFAR1PIK3C3CA12
SCHEMBL824626 0.78 AR (0.51) PDE10AC1RFFAR1PIK3C3NPY5R
SCHEMBL824897 0.78 AR (0.50) PDE10AFFAR1PIK3C3NPY5R
SCHEMBL824773 0.77 AR (0.41) PDE10AC1RFFAR1PIK3C3KDM4E
SCHEMBL824758 0.77 AR (0.41) PDE10AC1RFFAR1PIK3C3KDM4E
SCHEMBL3540577 0.77 NPY5R (0.41) PDE10AC1RFFAR1PIK3C3KDM4E

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 PDE10A 3212/4885C1R 334/4885MAPK10 2757/4885

“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.