SCHEMBL4007046

SCHEMBL4007046

NS(=O)(=O)c1cccc(Nc2ncc(F)c(Nc3ccc(Cc4ccccc4)cc3)n2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 5/20 0.61
JAK1 P23458 1/20 0.61
NTRK1 P04629 6/20 0.58
CDK2 P24941 10/20 0.56
CDK1 P06493 8/20 0.56
AURKA O14965 6/20 0.56
AURKB Q96GD4 6/20 0.56
SYK P43405 6/20 0.56
CDK5 Q00535 6/20 0.56
JAK2 O60674 5/20 0.56
GSK3A P49840 5/20 0.56
GSK3B P49841 5/20 0.56
ITK Q08881 5/20 0.56
PDPK1 O15530 4/20 0.56
MAP4K4 O95819 4/20 0.56
LCK P06239 4/20 0.56
FYN P06241 4/20 0.56
LYN P07948 4/20 0.56
IGF1R P08069 4/20 0.56
ROS1 P08922 4/20 0.56

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
SCHEMBL1476565 0.92 JAK3 (0.58) JAK3JAK1NTRK1CDK2CDK1
SCHEMBL4000113 0.92 JAK3 (0.60) JAK3JAK1NTRK1CDK2CDK1
Hydrochloric Acid SCHEMBL4000993 0.91 JAK3 (0.59) JAK3JAK1NTRK1CDK2CDK1
SCHEMBL4003268 0.91 JAK3 (0.58) JAK3JAK1NTRK1CDK2CDK1
SCHEMBL3998413 0.89 JAK3 (0.56) JAK3JAK1NTRK1CDK2CDK1
SCHEMBL4005818 0.88 JAK3 (0.71) JAK3JAK1NTRK1CDK2CDK1
SCHEMBL3999259 0.87 JAK3 (0.59) JAK3JAK1NTRK1CDK2CDK1
SCHEMBL3996202 0.86 JAK3 (0.60) JAK3JAK1NTRK1CDK2CDK1
SCHEMBL4001352 0.86 SYK (0.61) JAK3JAK1NTRK1CDK2CDK1
SCHEMBL4000393 0.86 JAK3 (0.58) JAK3JAK1NTRK1CDK2CDK1

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 28 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
EP-1904457-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY Rigel Pharmaceuticals, Inc. (US) 2008-04-02 EP 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
WO-2006133426-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2006-12-14 WO 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
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 2/4885NTRK1 578/4885
US-11198689-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 JAK3 1/4885JAK1 3/4885NTRK1 4599/4885
US-11827628-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 JAK3 1/4885JAK1 3/4885NTRK1 4599/4885
US-20220098181-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 JAK3 1/4885JAK1 3/4885NTRK1 4599/4885
US-20170298054-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 JAK3 1/4885JAK1 3/4885NTRK1 4599/4885
US-20200181130-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 JAK3 1/4885JAK1 3/4885NTRK1 4599/4885
US-20080306099-A1 Prevent transplant rejection; autoimmune diseases JAK3, JAK1, JAK2 JAK3 1/4885JAK1 2/4885NTRK1 4574/4885
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 2/4885NTRK1 998/4885
US-10421752-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 JAK3 1/4885JAK1 3/4885NTRK1 4599/4885

“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.