SCHEMBL824638

SCHEMBL824638

O=c1[nH]c(-c2ccccc2C(F)(F)F)cc2ccc(N3CCC(O)CC3)cc12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 1/20 0.41
AR P10275 1/20 0.39
NPY5R Q15761 1/20 0.38
JAK3 P52333 6/20 0.38
JAK1 P23458 3/20 0.38
SOS1 Q07889 2/20 0.38
JAK2 O60674 2/20 0.38
PDK2 Q15119 2/20 0.37
FFAR1 O14842 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
DCLK1 O15075 1/20 0.37
LRRK2 Q5S007 1/20 0.37
TYK2 P29597 1/20 0.36
PDE10A Q9Y233 1/20 0.36

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
SCHEMBL824652 0.94 SOS1 (0.44) PIK3C3SOS1
SCHEMBL824641 0.89 PIK3C3 (0.41) PIK3C3ARNPY5RJAK3JAK1
SCHEMBL824776 0.88 CCNE2 (0.40) PIK3C3ARNPY5RJAK3SOS1
SCHEMBL824712 0.88 CCNE2 (0.40) PIK3C3ARNPY5RJAK3SOS1
SCHEMBL824660 0.88 CCNE2 (0.40) PIK3C3ARNPY5RJAK3SOS1
SCHEMBL824626 0.88 AR (0.51) PIK3C3ARNPY5RJAK3JAK1
SCHEMBL824620 0.88 AR (0.48) PIK3C3ARNPY5RJAK3JAK1
SCHEMBL824639 0.88 HSD11B1 (0.42) ARJAK3
SCHEMBL824897 0.87 AR (0.50) PIK3C3ARNPY5RJAK3JAK1
SCHEMBL824758 0.86 AR (0.41) PIK3C3ARNPY5RJAK3JAK1

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 4269/4885AR 254/4885NPY5R 113/4885

“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.