SCHEMBL824641

SCHEMBL824641

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 1/20 0.41
HTR2C P28335 1/20 0.39
S1PR1 P21453 2/20 0.39
S1PR3 Q99500 1/20 0.39
FFAR1 O14842 1/20 0.38
AR P10275 2/20 0.38
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
PDE10A Q9Y233 1/20 0.37
NPY5R Q15761 1/20 0.36
JAK3 P52333 2/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
PDE7A Q13946 1/20 0.35
ITGB2 P05107 2/20 0.35
ICAM1 P05362 2/20 0.35
ITGAL P20701 2/20 0.35
BRD4 O60885 1/20 0.35
SCD O00767 1/20 0.35
TRPA1 O75762 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
SCHEMBL824638 0.89 PIK3C3 (0.41) PIK3C3FFAR1ARCYP3A4HPGD
SCHEMBL824646 0.89 PIK3C3 (0.39) PIK3C3FFAR1ARPDE10ANPY5R
SCHEMBL824586 0.86 MGLL (0.41) HTR2CS1PR1FFAR1PDE7A
SCHEMBL824620 0.86 AR (0.48) PIK3C3FFAR1ARHPGDPDE10A
SCHEMBL824626 0.86 AR (0.51) PIK3C3FFAR1ARPDE10ANPY5R
SCHEMBL824652 0.85 SOS1 (0.44) PIK3C3
SCHEMBL3544039 0.85 SIGMAR1 (0.39) PIK3C3CYP3A4
SCHEMBL3544042 0.85 SIGMAR1 (0.39) PIK3C3CYP3A4
SCHEMBL3544043 0.85 SIGMAR1 (0.39) PIK3C3CYP3A4
SCHEMBL824897 0.85 AR (0.50) PIK3C3FFAR1ARPDE10ANPY5R

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 9 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
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 4269/4885HTR2C 398/4885S1PR1 3098/4885

“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.