SCHEMBL13087667

SCHEMBL13087667

CCS(=O)(=O)N1CCC(Oc2cc(-c3cccc(OC)c3)cc3ccncc23)CC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 9/20 0.60
CHUK O15111 6/20 0.60
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PKM P14618 1/20 0.41
NAMPT P43490 1/20 0.40
FPR2 P25090 1/20 0.40
PROKR1 Q8TCW9 1/20 0.40
SLC2A1 P11166 1/20 0.39
JAK2 O60674 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
SLC22A12 Q96S37 1/20 0.38
MGAT2 Q10469 1/20 0.38
PDE4D Q08499 1/20 0.38
SCN9A Q15858 1/20 0.37

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
SCHEMBL13087678 0.93 IKBKB (0.60) IKBKBCHUKSMN1; SMN2NAMPTFPR2
SCHEMBL13087929 0.92 IKBKB (0.49) IKBKBCHUKFPR2PROKR1JAK2
SCHEMBL13088201 0.91 IKBKB (0.49) IKBKBCHUKSMN1; SMN2NAMPTFPR2
SCHEMBL13087665 0.89 IKBKB (0.59) IKBKBCHUKNAMPTTSHRSCN9A
SCHEMBL13087926 0.89 IKBKB (0.69) IKBKBCHUKNAMPTTSHR
SCHEMBL13087931 0.88 IKBKB (0.58) IKBKBCHUKNAMPTFPR2PROKR1
SCHEMBL13087672 0.88 IKBKB (0.58) IKBKBCHUKSMN1; SMN2NAMPTSLC22A12
SCHEMBL13087829 0.88 IKBKB (0.62) IKBKBCHUKNAMPTTSHR
SCHEMBL13087948 0.86 IKBKB (0.61) IKBKBCHUKNAMPTTSHR
SCHEMBL13087940 0.86 IKBKB (0.57) IKBKBCHUKNAMPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299055-B2 8-substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2012-10-30 US disclosed
US-8299055-B2 8-substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2012-10-30 US disclosed
US-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-10-14 US disclosed
US-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-10-14 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-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof RELA, NFKBIA, NFKB2 IKBKB 7/4885CHUK 17/4885GAA 3750/4885

“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.