SCHEMBL3996170

SCHEMBL3996170

NS(=O)(=O)c1cccc(Nc2ncc(F)c(Nc3ccc(CNC(=O)C4CC4)cc3)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 4/20 0.54
JAK1 P23458 1/20 0.54
CDK2 P24941 7/20 0.52
CCNE1 P24864 4/20 0.52
CCNT1 O60563 3/20 0.52
CDK9 P50750 3/20 0.52
SYK P43405 7/20 0.51
NTRK1 P04629 5/20 0.51
AURKA O14965 5/20 0.51
AURKB Q96GD4 5/20 0.51
CDK1 P06493 5/20 0.51
CDK5 Q00535 5/20 0.51
PDPK1 O15530 5/20 0.51
FLT3 P36888 4/20 0.51
JAK2 O60674 4/20 0.51
ITK Q08881 4/20 0.51
PLK4 O00444 3/20 0.51
DAPK3 O43293 3/20 0.51
MAP4K4 O95819 3/20 0.51
PAK4 O96013 3/20 0.51

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
SCHEMBL4000369 0.94 NTRK1 (0.56) JAK3JAK1CDK2CCNE1CCNT1
SCHEMBL4005181 0.92 NTRK1 (0.54) JAK3JAK1CDK2CCNE1CCNT1
SCHEMBL4006044 0.91 AURKA (0.56) JAK3JAK1CDK2CCNE1CCNT1
SCHEMBL3998520 0.89 JAK3 (0.58) JAK3JAK1CDK2CCNE1CCNT1
SCHEMBL3997808 0.88 JAK3 (0.56) JAK3JAK1CDK2CCNE1CCNT1
SCHEMBL3999107 0.86 AURKA (0.62) JAK3JAK1CDK2CCNE1CCNT1
SCHEMBL3999784 0.86 EGFR (0.58) JAK3JAK1JAK2ITKLYN
SCHEMBL4000888 0.85 JAK3 (0.56) JAK3JAK1CDK2CCNE1CCNT1
SCHEMBL4972992 0.84 JAK3 (0.60) JAK3JAK1CDK2CCNE1CCNT1
SCHEMBL4003353 0.84 SYK (0.57) JAK3JAK1CDK2CCNE1CCNT1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11198689-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2021-12-14 US claimed
EP-1904457-B1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS INC (US) 2017-09-06 EP claimed
US-8415365-B2 Prevent transplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. (US) 2013-04-09 US claimed
US-20080306099-A1 Prevent transplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. 2008-12-11 US claimed
US-20060293311-A1 e.g. 1 N2-(4-Aminosulphonylphenyl)-N4-(3-cyanomethoxy-4,5-dimethoxyphenyl)-5-fluoro-2,4-pyrimidinediamine; tyrosine (JAK) kinases inhibitor; interleukin and tumor necrosis factor ligand; transplant rejection; T-cell mediated autoimmune disease RIGEL PHARMACEUTICALS, INC. 2006-12-28 US claimed
US-11827628-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2023-11-28 US disclosed
US-20220098181-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2022-03-31 US disclosed
US-11198689-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2021-12-14 US disclosed
US-20200181130-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2020-06-11 US disclosed
US-10421752-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2019-09-24 US disclosed
US-20170298054-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2017-10-19 US disclosed
EP-1904457-B1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS INC (US) 2017-09-06 EP 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-7491732-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2009-02-17 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
EP-1904457-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY Rigel Pharmaceuticals, Inc. (US) 2008-04-02 EP disclosed
US-20060293311-A1 e.g. 1 N2-(4-Aminosulphonylphenyl)-N4-(3-cyanomethoxy-4,5-dimethoxyphenyl)-5-fluoro-2,4-pyrimidinediamine; tyrosine (JAK) kinases inhibitor; interleukin and tumor necrosis factor ligand; transplant rejection; T-cell mediated autoimmune disease RIGEL PHARMACEUTICALS, INC. 2006-12-28 US disclosed
WO-2006133426-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2006-12-14 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 (9 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 2/4885CDK2 132/4885
US-11198689-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 JAK3 1/4885JAK1 3/4885CDK2 250/4885
US-11827628-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 JAK3 1/4885JAK1 3/4885CDK2 250/4885
US-20220098181-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 JAK3 1/4885JAK1 3/4885CDK2 250/4885
US-20170298054-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 JAK3 1/4885JAK1 3/4885CDK2 250/4885
US-20200181130-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 JAK3 1/4885JAK1 3/4885CDK2 250/4885
US-20080306099-A1 Prevent transplant rejection; autoimmune diseases JAK3, JAK1, JAK2 JAK3 1/4885JAK1 2/4885CDK2 924/4885
US-20060293311-A1 e.g. 1 N2-(4-Aminosulphonylphenyl)-N4-(3-cyanomethoxy-4,5-dimethoxyphenyl)-5-fluoro-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 2/4885CDK2 51/4885
US-10421752-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 JAK3 1/4885JAK1 3/4885CDK2 250/4885

“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.