SCHEMBL824753

SCHEMBL824753

O=c1[nH]c(-c2ccccc2C(F)(F)F)cc2ccc(N3CCOC(CO)C3)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 1/20 0.42
PIK3CD O00329 3/20 0.38
PIK3C2B O00750 3/20 0.38
MTOR P42345 3/20 0.38
PIK3CG P48736 3/20 0.38
PDE10A Q9Y233 1/20 0.38
AKT1 P31749 3/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
TRPV1 Q8NER1 2/20 0.36
FFAR1 O14842 1/20 0.35
JAK1 P23458 1/20 0.35
JAK3 P52333 1/20 0.35
PRKDC P78527 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
CNR2 P34972 2/20 0.34
SCD5 Q86SK9 1/20 0.34
NPY5R Q15761 1/20 0.34
SYK P43405 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
SCHEMBL1326018 0.85 MAOA (0.45) PIK3C3PDE10AFFAR1
SCHEMBL1325971 0.85 MAOA (0.45) PIK3C3PDE10AFFAR1
SCHEMBL1327132 0.85 MAOA (0.45) PIK3C3PDE10AFFAR1
SCHEMBL824646 0.83 PIK3C3 (0.39) PIK3C3PDE10AFFAR1JAK3CNR2
SCHEMBL824684 0.83 PIK3C3 (0.49) PIK3C3JAK1JAK3PRKDCCNR2
SCHEMBL824641 0.83 PIK3C3 (0.41) PIK3C3PDE10ATRPV1FFAR1JAK1
SCHEMBL824652 0.82 SOS1 (0.44) PIK3C3
SCHEMBL824712 0.80 CCNE2 (0.40) PIK3C3JAK3NPY5R
SCHEMBL824660 0.80 CCNE2 (0.40) PIK3C3JAK3NPY5R
SCHEMBL824776 0.80 CCNE2 (0.40) PIK3C3JAK3NPY5R

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 4269/4885PIK3CD 3356/4885PIK3C2B 2347/4885

“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.