SCHEMBL4242773

SCHEMBL4242773

O=CN1CCc2cc(OC(F)F)ccc2C1c1cc(Cl)c(O)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.36
ESR2 Q92731 4/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
FFAR4 Q5NUL3 1/20 0.35
HDAC6 Q9UBN7 3/20 0.34
HDAC1 Q13547 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP12 P39900 1/20 0.33
MMP14 P50281 1/20 0.33
MMP15 P51511 1/20 0.33
MMP16 P51512 1/20 0.33
MMP26 Q9NRE1 1/20 0.33

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
SCHEMBL13878848 0.87 CA1 (0.33) ESR1ESR2CA1CA2CA9
SCHEMBL4248773 0.83 PPARD (0.39) ESR1ESR2HDAC6HDAC1
SCHEMBL983323 0.74 CA1 (0.47) CA1CA2CA9CA14
SCHEMBL985863 0.73 CA1 (0.55) CA1CA2CA9CA14TAS2R14
SCHEMBL988054 0.72 CA1 (0.50) CA1CA2CA9CA14TAS2R14
SCHEMBL986105 0.72 DRD1 (0.52) CA1CA2CA9CA14TAS2R14
SCHEMBL987586 0.71 CA1 (0.49) CA1CA2CA9CA14
SCHEMBL985919 0.70 PDE4D (0.45) CA1CA2CA9CA14
SCHEMBL986126 0.69 CA1 (0.55) CA1CA2CA9CA14TAS2R14
SCHEMBL985708 0.68 DRD1 (0.48) CA1CA2CA9CA14

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099133-A1 Isoquinolines Derivatives as Igf-1R Inhibitors ANALYTECON S.A. (CH) 2009-04-16 US disclosed
EP-1940796-A1 ISOQUINOLINES DERIVATIVES AS IGF-1R INHIBITORS Analytecon S.A. (CH) 2008-07-09 EP disclosed
WO-2007029107-A1 ISOQUINOLINES DERIVATIVES AS IGF-1R INHIBITORS ANALYTECON SA (CH) 2007-03-15 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-20090099133-A1 Isoquinolines Derivatives as Igf-1R Inhibitors IGF1R, IGFBP1, IGF2BP1 ESR1 1295/4885ESR2 290/4885CA1 4832/4885

“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.