SCHEMBL824717

SCHEMBL824717

O=c1[nH]c(-c2ccc3ccccc3c2)cc2ccc(N3CCOCC3)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.52
CDC25B P30305 1/20 0.52
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
PRKDC P78527 2/20 0.47
AKR1C3 P42330 1/20 0.47
KIF11 P52732 2/20 0.46
ITK Q08881 1/20 0.46
MAPT P10636 2/20 0.44
STAT3 P40763 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL824640 0.89 KIF11 (0.54) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL4764396 0.87 APAF1 (0.65) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL824623 0.84 MAPT (0.52) PRKDCAKR1C3MAPTMEN1ALDH1A1
SCHEMBL824839 0.82 GSK3B (0.47) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL824947 0.82 TDO2 (0.51) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL824691 0.82 FYN (0.51) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL824821 0.81 PIK3C3 (0.64) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL5980118 0.81 APAF1 (0.48) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL824715 0.81 STAT3 (0.50) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL824759 0.81 APAF1 (0.48) 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 APAF1 4884/4885CDC25B 4066/4885CASP3 3325/4885

“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.