SCHEMBL824945

SCHEMBL824945

O=c1[nH]c(-c2ccccc2N2CCCCC2)cc2ccc(N3CCOCC3)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.47
IDO2 Q6ZQW0 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
PIK3C3 Q8NEB9 1/20 0.45
STAT3 P40763 1/20 0.44
MAPT P10636 3/20 0.44
ALDH1A1 P00352 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ITK Q08881 1/20 0.43
PSMD14 O00487 1/20 0.43
KIF11 P52732 1/20 0.41
PRKDC P78527 1/20 0.41
HSD17B10 Q99714 2/20 0.40
HCRTR1 O43613 1/20 0.40
KDM4E B2RXH2 3/20 0.40

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
SCHEMBL824950 0.99 TDO2 (0.48) TDO2IDO2APAF1CDC25BCASP3
SCHEMBL824947 0.96 TDO2 (0.51) TDO2IDO2APAF1CDC25BCASP3
SCHEMBL824705 0.88 TDO2 (0.45) TDO2IDO2APAF1CDC25BCASP3
SCHEMBL824627 0.86 APAF1 (0.40) TDO2IDO2APAF1CDC25BCASP3
SCHEMBL824715 0.84 STAT3 (0.50) TDO2IDO2APAF1CDC25BCASP3
SCHEMBL824821 0.84 PIK3C3 (0.64) TDO2IDO2APAF1CDC25BCASP3
SCHEMBL5980118 0.84 APAF1 (0.48) TDO2IDO2APAF1CDC25BCASP3
SCHEMBL824759 0.84 APAF1 (0.48) TDO2IDO2APAF1CDC25BCASP3
SCHEMBL824716 0.83 APAF1 (0.49) TDO2IDO2APAF1CDC25BCASP3
SCHEMBL824701 0.83 APAF1 (0.49) APAF1CDC25BCASP3SENP8SENP7

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 TDO2 1631/4885IDO2 1276/4885APAF1 4884/4885

“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.