SCHEMBL824839

SCHEMBL824839

O=c1[nH]c(-c2ccncc2)cc2ccc(N3CCOCC3)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.47
CDK2 P24941 1/20 0.47
FGFR1 P11362 2/20 0.45
FLT1 P17948 2/20 0.45
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
APAF1 O14727 1/20 0.44
CDC25B P30305 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
ITK Q08881 1/20 0.44
XDH P47989 1/20 0.44
PARP14 Q460N5 1/20 0.43
STAT3 P40763 1/20 0.42
MAPK10 P53779 1/20 0.42
TBK1 Q9UHD2 1/20 0.42

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 0.88 KIF11 (0.54) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL824623 0.83 MAPT (0.52) GSK3BPIK3CDTBK1
SCHEMBL824717 0.82 APAF1 (0.52) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL824691 0.81 FYN (0.51) GSK3BFGFR1APAF1CDC25BCASP3
SCHEMBL4764396 0.80 APAF1 (0.65) FGFR1FLT1APAF1CDC25BCASP3
SCHEMBL824697 0.79 ALDH1A1 (0.51) GSK3BPDE3BPDE3AAPAF1CDC25B
SCHEMBL824947 0.79 TDO2 (0.51) FGFR1FLT1PIK3CDPIK3CAPIK3CB
SCHEMBL824685 0.78 APAF1 (0.52) PDE3BPDE3APIK3CDPIK3CAPIK3CB
SCHEMBL824984 0.78 APAF1 (0.46) FGFR1FLT1PIK3CDPIK3CAPIK3CB
SCHEMBL824715 0.77 STAT3 (0.50) 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 5 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-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

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 GSK3B 2666/4885CDK2 1688/4885FGFR1 713/4885

“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.