SCHEMBL1719451

SCHEMBL1719451

CCOC(=O)c1c(C)n(-c2ccccc2)c(=O)c2cc(Br)ccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
RECQL P46063 1/20 0.55
MAPT P10636 4/20 0.54
ATM Q13315 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
THRB P10828 2/20 0.52
ALDH1A1 P00352 4/20 0.51
PTGFR P43088 1/20 0.50
GAA P10253 1/20 0.50
CHEK1 O14757 1/20 0.49
AURKA O14965 1/20 0.49
NTRK1 P04629 1/20 0.49
FYN P06241 1/20 0.49
MET P08581 1/20 0.49
PDGFRB P09619 1/20 0.49
PIM1 P11309 1/20 0.49
FGFR1 P11362 1/20 0.49
PDGFRA P16234 1/20 0.49
LTK P29376 1/20 0.49

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
SCHEMBL1718672 0.88 MEN1 (0.62) MEN1KMT2ARECQLMAPTSMN1; SMN2
SCHEMBL1717720 0.86 RECQL (0.67) MEN1KMT2ARECQLMAPTSMN1; SMN2
SCHEMBL1717992 0.86 MEN1 (0.60) MEN1KMT2ARECQLMAPTSMN1; SMN2
SCHEMBL2675778 0.86 MEN1 (0.60) MEN1KMT2ARECQLMAPTSMN1; SMN2
SCHEMBL25944686 0.86 MEN1 (0.65) MEN1KMT2ARECQLMAPTSMN1; SMN2
SCHEMBL1717191 0.85 PTGFR (0.58) MEN1KMT2AMAPTATMSMN1; SMN2
SCHEMBL1717020 0.83 MEN1 (0.62) MEN1KMT2ARECQLMAPTSMN1; SMN2
SCHEMBL4828752 0.83 PTGFR (0.53) MEN1KMT2AMAPTATMSMN1; SMN2
SCHEMBL1717801 0.81 MEN1 (0.60) MEN1KMT2ARECQLMAPTSMN1; SMN2
SCHEMBL19329031 0.81 PTGFR (0.54) MEN1KMT2ARECQLMAPTATM

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
US-8173639-B2 Isoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2012-05-08 US disclosed
US-8173639-B2 Isoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2012-05-08 US disclosed
US-8173639-B2 Isoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2012-05-08 US disclosed
EP-2150534-B1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS LUNDBECK & CO AS H (DK) 2012-01-11 EP disclosed
EP-2150534-B1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS LUNDBECK & CO AS H (DK) 2012-01-11 EP disclosed
US-20090143402-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2009-06-04 US disclosed
US-20090143402-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2009-06-04 US disclosed
US-20090143402-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2009-06-04 US disclosed
WO-2008131779-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2008-11-06 WO 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-20090143402-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS KCNQ3, KCNK3, GRIK3 MEN1 3960/4885KMT2A 1850/4885RECQL 1751/4885

“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.