SCHEMBL3544442

SCHEMBL3544442

O=C1CCCCN1c1ccc2cc(-c3ccccc3C(F)(F)F)[nH]c(=O)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.43
NPY5R Q15761 1/20 0.42
PIK3C3 Q8NEB9 2/20 0.39
FFAR1 O14842 1/20 0.37
AR P10275 1/20 0.37
F10 P00742 1/20 0.37
CDK2 P24941 2/20 0.36
PDE10A Q9Y233 1/20 0.36
BRD9 Q9H8M2 1/20 0.36
RORC P51449 1/20 0.35
BRD4 O60885 1/20 0.34
BRDT Q58F21 1/20 0.34
PARP1 P09874 1/20 0.34
C1R P00736 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 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
SCHEMBL3545469 0.97 PDK2 (0.46) PDK2NPY5RPIK3C3FFAR1AR
SCHEMBL3540577 0.93 NPY5R (0.41) PDK2NPY5RPIK3C3FFAR1AR
SCHEMBL824626 0.86 AR (0.51) PDK2NPY5RPIK3C3FFAR1AR
SCHEMBL824897 0.85 AR (0.50) PDK2NPY5RPIK3C3FFAR1AR
SCHEMBL3548009 0.85 PIK3C3 (0.39) NPY5RPIK3C3FFAR1ARPDE10A
SCHEMBL3544038 0.84 PIK3C3 (0.46) NPY5RPIK3C3F10PDE10AC1R
SCHEMBL3541176 0.84 PIK3C3 (0.40) NPY5RPIK3C3FFAR1ARPDE10A
SCHEMBL3544427 0.84 PIK3C3 (0.42) NPY5RPIK3C3FFAR1ARPDE10A
SCHEMBL3542628 0.84 PIK3C3 (0.40) NPY5RPIK3C3FFAR1ARPDE10A
SCHEMBL824620 0.84 AR (0.48) PDK2NPY5RPIK3C3FFAR1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1854792-B1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-12-26 EP claimed
US-7820693-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-10-26 US claimed
US-20090030195-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-01-29 US claimed
EP-1854792-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-11-14 EP claimed
EP-1854792-B1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-12-26 EP disclosed
US-7820693-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-10-26 US disclosed
US-7820693-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-10-26 US disclosed
US-7820693-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-10-26 US disclosed
US-20090030195-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-01-29 US disclosed
US-20090030195-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-01-29 US disclosed
US-20090030195-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-01-29 US disclosed
EP-1854792-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-11-14 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-20090030195-A1 1-(2H)-ISOQUINOLONE DERIVATIVE NQO1, NR5A1, SRD5A1 PDK2 2263/4885NPY5R 1932/4885PIK3C3 1751/4885

“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.