SCHEMBL824627

SCHEMBL824627

O=c1[nH]c(-c2ccccc2N2CCOCC2)cc2ccc(N3CCCC(O)C3)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.40
CDC25B P30305 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
TDO2 P48775 1/20 0.40
IDO2 Q6ZQW0 1/20 0.40
PIK3C3 Q8NEB9 4/20 0.37
PRKDC P78527 3/20 0.37
ITK Q08881 1/20 0.37
PARP14 Q460N5 1/20 0.36
STAT3 P40763 1/20 0.36
PSMD14 O00487 1/20 0.36
MAPT P10636 1/20 0.36
HCRTR1 O43613 1/20 0.36
TBK1 Q9UHD2 1/20 0.35
PDK2 Q15119 1/20 0.35
SMARCA2 P51531 1/20 0.35
SMARCA4 P51532 1/20 0.35
PBRM1 Q86U86 1/20 0.35

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
SCHEMBL824663 0.90 HTR5A (0.37) MAPTPDK2SMARCA2SMARCA4PBRM1
SCHEMBL824668 0.89 TNKS (0.41) TDO2IDO2MAPTPDK2SMARCA2
SCHEMBL824705 0.89 TDO2 (0.45) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL824950 0.87 TDO2 (0.48) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL824636 0.87 TSHR (0.38) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL824945 0.86 TDO2 (0.47) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL824947 0.86 TDO2 (0.51) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL824631 0.85 MAPT (0.40) PIK3C3MAPTSMARCA2SMARCA4PBRM1
SCHEMBL824725 0.85 PIK3C3 (0.36) CDC25BPIK3C3MAPTSMARCA2SMARCA4
SCHEMBL824703 0.83 MAPT (0.37) MAPTSMARCA2SMARCA4PBRM1

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.