SCHEMBL824694

SCHEMBL824694

O=c1[nH]c(-c2ccccc2C(F)(F)F)cc2ccc(N3CCC4(CC3)OCCO4)cc12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 1/20 0.41
JAK3 P52333 6/20 0.41
JAK1 P23458 3/20 0.41
JAK2 O60674 3/20 0.38
AR P10275 1/20 0.38
TYK2 P29597 1/20 0.37
PTPN11 Q06124 1/20 0.36
NPY5R Q15761 2/20 0.36
LGMN Q99538 1/20 0.35
PRKDC P78527 1/20 0.35
PDE10A Q9Y233 1/20 0.35
C1R P00736 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
MET P08581 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
SCHEMBL824684 0.87 PIK3C3 (0.49) PIK3C3JAK3JAK1ARPRKDC
SCHEMBL824626 0.86 AR (0.51) PIK3C3JAK3JAK1JAK2AR
SCHEMBL824620 0.86 AR (0.48) PIK3C3JAK3JAK1JAK2AR
SCHEMBL824897 0.85 AR (0.50) PIK3C3JAK3JAK1JAK2AR
SCHEMBL824758 0.84 AR (0.41) PIK3C3JAK3JAK1JAK2AR
SCHEMBL824773 0.84 AR (0.41) PIK3C3JAK3JAK1JAK2AR
SCHEMBL824700 0.84 FFAR1 (0.37) PIK3C3JAK3JAK1JAK2AR
SCHEMBL824670 0.81 AR (0.39) PIK3C3JAK3JAK1JAK2AR
SCHEMBL824638 0.81 PIK3C3 (0.41) PIK3C3JAK3JAK1JAK2AR
SCHEMBL3542628 0.79 PIK3C3 (0.40) PIK3C3ARNPY5RPDE10AC1R

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 4269/4885JAK3 1832/4885JAK1 2978/4885

“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.