SCHEMBL824700

SCHEMBL824700

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.37
JAK3 P52333 9/20 0.37
PIK3C3 Q8NEB9 2/20 0.37
AR P10275 1/20 0.37
PDE10A Q9Y233 1/20 0.36
PTPN11 Q06124 1/20 0.36
NPY5R Q15761 2/20 0.36
JAK1 P23458 4/20 0.35
JAK2 O60674 3/20 0.35
TYK2 P29597 2/20 0.35
PDK2 Q15119 2/20 0.34
PRKCA P17252 1/20 0.34
GSK3B P49841 1/20 0.34
PRKCQ Q04759 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
SCHEMBL824620 0.85 AR (0.48) FFAR1JAK3PIK3C3ARPDE10A
SCHEMBL824626 0.85 AR (0.51) FFAR1JAK3PIK3C3ARPDE10A
SCHEMBL824897 0.84 AR (0.50) FFAR1JAK3PIK3C3ARPDE10A
SCHEMBL824694 0.84 PIK3C3 (0.41) JAK3PIK3C3ARPDE10APTPN11
SCHEMBL824641 0.84 PIK3C3 (0.41) FFAR1JAK3PIK3C3ARPDE10A
SCHEMBL824773 0.83 AR (0.41) FFAR1JAK3PIK3C3ARPDE10A
SCHEMBL824758 0.83 AR (0.41) FFAR1JAK3PIK3C3ARPDE10A
SCHEMBL824638 0.82 PIK3C3 (0.41) FFAR1JAK3PIK3C3ARPDE10A
SCHEMBL824684 0.82 PIK3C3 (0.49) JAK3PIK3C3ARJAK1PDK2
SCHEMBL824670 0.81 AR (0.39) FFAR1JAK3PIK3C3ARPDE10A

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 FFAR1 452/4885JAK3 1832/4885PIK3C3 4269/4885

“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.