SCHEMBL4258546

SCHEMBL4258546

CC1(C)Oc2ccc(Nc3nc(Nc4cccc(S(N)(=O)=O)c4)ncc3N)cc2NC1=O

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 14/20 0.84
JAK1 P23458 12/20 0.84
SYK P43405 8/20 0.61
AURKA O14965 3/20 0.46
DCLK1 O15075 3/20 0.46
AURKB Q96GD4 3/20 0.46
JAK2 O60674 3/20 0.46
EGFR P00533 3/20 0.46
LCK P06239 3/20 0.46
LYN P07948 3/20 0.46
BTK Q06187 3/20 0.46
CDC7 O00311 2/20 0.46
PLK4 O00444 2/20 0.46
CHEK1 O14757 2/20 0.46
PDPK1 O15530 2/20 0.46
DAPK3 O43293 2/20 0.46
ROCK2 O75116 2/20 0.46
MAP4K4 O95819 2/20 0.46
PAK4 O96013 2/20 0.46
CHEK2 O96017 2/20 0.46

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
SCHEMBL1476669 0.91 JAK3 (1.00) JAK3JAK1SYKAURKADCLK1
SCHEMBL1474922 0.83 JAK3 (0.85) JAK3JAK1SYKAURKADCLK1
SCHEMBL1474227 0.82 JAK3 (1.00) JAK3JAK1SYKAURKADCLK1
SCHEMBL4934221 0.78 JAK1 (0.64) JAK3JAK1SYKAURKAAURKB
SCHEMBL658794 0.76 SYK (0.71) JAK3JAK1SYKAURKAAURKB
SCHEMBL4000195 0.76 JAK3 (1.00) JAK3JAK1SYKAURKADCLK1
SCHEMBL1606409 0.76 JAK3 (0.52) JAK3JAK1SYKAURKADCLK1
SCHEMBL1474404 0.75 JAK3 (0.72) JAK3JAK1SYKAURKADCLK1
SCHEMBL17669875 0.75 JAK1 (0.59) JAK3JAK1SYKAURKADCLK1
SCHEMBL2104246 0.74 ADORA3 (0.62) JAK3JAK1SYKAURKAAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306099-A1 Prevent transplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. 2008-12-11 US claimed
US-8815848-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2014-08-26 US disclosed
US-20130142807-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2013-06-06 US disclosed
US-8415365-B2 Prevent transplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. (US) 2013-04-09 US disclosed
US-8399472-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2013-03-19 US disclosed
US-20090041786-A1 e.g. 5-Fluoro-N4-(3-hydroxyphenyl)-N2-[4-(N-methyl)aminosulfonyl-3-methoxyphenyl]-2,4-pyrimidinediamine; tyrosine (JAK) kinases inhibitor; interleukin and tumor necrosis factor ligand; transplant rejection; T-cell mediated autoimmune disease RIGEL PHARMACEUTICALS, INC. 2009-02-12 US disclosed
US-20080306099-A1 Prevent transplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. 2008-12-11 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 (3 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-20090041786-A1 e.g. 5-Fluoro-N4-(3-hydroxyphenyl)-N2-[4-(N-methyl)aminosulfonyl-3-methoxyphenyl]-2,4-pyrimidinediamine; tyrosine (JAK) kinases inhibitor; interleukin and tumor necrosis factor ligand; transplant rejection; T-cell mediated autoimmune disease JAK3, JAK1, JAK2 JAK3 1/4885JAK1 2/4885SYK 102/4885
US-20080306099-A1 Prevent transplant rejection; autoimmune diseases JAK3, JAK1, JAK2 JAK3 1/4885JAK1 2/4885SYK 268/4885
US-20130142807-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 JAK3 1/4885JAK1 3/4885SYK 80/4885

“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.