SCHEMBL824646

SCHEMBL824646

O=c1[nH]c(-c2ccccc2C(F)(F)F)cc2ccc(N3CCCC(CO)C3)cc12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 2/20 0.39
NPY5R Q15761 1/20 0.38
RBP4 P02753 1/20 0.38
TTR P02766 1/20 0.38
AR P10275 2/20 0.37
JAK3 P52333 2/20 0.37
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
TYMP P19971 2/20 0.36
KHK P50053 1/20 0.36
JAK2 O60674 1/20 0.36
SYK P43405 1/20 0.36
FFAR1 O14842 1/20 0.36
PDE10A Q9Y233 1/20 0.35
PTPN1 P18031 1/20 0.34
CNR2 P34972 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
SCHEMBL824641 0.89 PIK3C3 (0.41) PIK3C3NPY5RARJAK3ITGB2
SCHEMBL824660 0.88 CCNE2 (0.40) PIK3C3NPY5RARJAK3
SCHEMBL824776 0.88 CCNE2 (0.40) PIK3C3NPY5RARJAK3
SCHEMBL824712 0.88 CCNE2 (0.40) PIK3C3NPY5RARJAK3
SCHEMBL824648 0.87 MGLL (0.39) RBP4TTRTYMPJAK2SYK
SCHEMBL824620 0.85 AR (0.48) PIK3C3NPY5RARJAK3JAK2
SCHEMBL824626 0.85 AR (0.51) PIK3C3NPY5RARJAK3JAK2
SCHEMBL824652 0.84 SOS1 (0.44) PIK3C3
SCHEMBL824594 0.84 TYMP (0.43) TYMPJAK2SYKPDE10APTPN1
SCHEMBL824897 0.84 AR (0.50) PIK3C3NPY5RARJAK3JAK2

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 4269/4885NPY5R 113/4885RBP4 1134/4885

“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.