SCHEMBL824684

SCHEMBL824684

O=c1[nH]c(-c2ccccc2C(F)(F)F)cc2ccc(N3CCOCC3)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 2/20 0.49
JAK1 P23458 1/20 0.48
JAK3 P52333 1/20 0.48
PRKDC P78527 1/20 0.47
APAF1 O14727 1/20 0.46
CDC25B P30305 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
TDO2 P48775 1/20 0.44
IDO2 Q6ZQW0 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
ALOX15 P16050 2/20 0.44
TSHR P16473 2/20 0.44
CYP2C19 P33261 2/20 0.44
CLK4 Q9HAZ1 2/20 0.44
USP2 O75604 1/20 0.44
CYP2D6 P10635 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL824626 0.90 AR (0.51) PIK3C3JAK1JAK3HSD17B10PDK2
SCHEMBL824620 0.90 AR (0.48) PIK3C3JAK1JAK3ALDH1A1HSD17B10
SCHEMBL824897 0.89 AR (0.50) PIK3C3JAK1JAK3HSD17B10PDK2
SCHEMBL824773 0.88 AR (0.41) PIK3C3JAK1JAK3PRKDCCYP1A2
SCHEMBL824758 0.88 AR (0.41) PIK3C3JAK1JAK3PRKDCCYP1A2
SCHEMBL824694 0.87 PIK3C3 (0.41) PIK3C3JAK1JAK3PRKDCALDH1A1
SCHEMBL3544038 0.86 PIK3C3 (0.46) PIK3C3JAK1JAK3PRKDCAPAF1
SCHEMBL824947 0.85 TDO2 (0.51) PIK3C3PRKDCAPAF1CDC25BCASP3
SCHEMBL824638 0.85 PIK3C3 (0.41) PIK3C3JAK1JAK3CYP3A4PDK2
SCHEMBL824670 0.85 AR (0.39) PIK3C3JAK1JAK3PRKDCALDH1A1

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 4269/4885JAK1 2978/4885JAK3 1832/4885

“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.