SCHEMBL2424972

SCHEMBL2424972

NC1CCN(S(=O)(=O)CC2CCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 11/20 0.42
JAK1 P23458 11/20 0.42
JAK3 P52333 11/20 0.42
SMYD3 Q9H7B4 2/20 0.41
HTR1A P08908 1/20 0.33
KCNH2 Q12809 1/20 0.33
GRM5 P41594 1/20 0.33
TYK2 P29597 1/20 0.32
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 1/20 0.32
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31

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
SCHEMBL27034818 0.96 JAK2 (0.42) JAK2JAK1JAK3SMYD3HTR1A
SCHEMBL27075429 0.94 JAK2 (0.41) JAK2JAK1JAK3SMYD3HTR1A
SCHEMBL2424805 0.92 JAK2 (0.46) JAK2JAK1JAK3SMYD3TYK2
SCHEMBL13013205 0.79 GRM5 (0.39) JAK2JAK1JAK3HTR1AKCNH2
SCHEMBL8125415 0.78 CHRM5 (0.41) JAK2JAK1JAK3HTR1AKCNH2
SCHEMBL30341016 0.78 CHRM5 (0.41) JAK2JAK1JAK3HTR1AKCNH2
SCHEMBL695370 0.77 KDM4E (0.44) TSHRL3MBTL1GAA
SCHEMBL626217 0.77 JAK2 (0.42) JAK2JAK1JAK3SMYD3GRM5
SCHEMBL14603864 0.77 JAK2 (0.45) JAK2JAK1JAK3SMYD3TYK2
SCHEMBL14768113 0.76 SMYD3 (0.46) JAK2JAK1JAK3SMYD3TSHR

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
EP-2366699-B1 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2013-08-07 EP disclosed
US-8299055-B2 8-substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2012-10-30 US disclosed
EP-2366699-A1 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2011-09-21 EP 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 JAK2 20/4885JAK1 87/4885JAK3 276/4885

“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.