SCHEMBL4003046

SCHEMBL4003046

Cc1ccc(Nc2ncc(F)c(Nc3ccc(OC4CCN(C)CC4)c(Cl)c3)n2)cc1S(N)(=O)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 3/20 0.58
JAK2 O60674 4/20 0.53
AXL P30530 3/20 0.53
EGFR P00533 2/20 0.53
CDK2 P24941 2/20 0.53
JAK3 P52333 2/20 0.53
SYK P43405 2/20 0.53
PLK4 O00444 1/20 0.53
AURKA O14965 1/20 0.53
PDPK1 O15530 1/20 0.53
DAPK3 O43293 1/20 0.53
MAP4K4 O95819 1/20 0.53
PAK4 O96013 1/20 0.53
CHEK2 O96017 1/20 0.53
ERBB2 P04626 1/20 0.53
NTRK1 P04629 1/20 0.53
PRKCG P05129 1/20 0.53
INSR P06213 1/20 0.53
LCK P06239 1/20 0.53
FYN P06241 1/20 0.53

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
SCHEMBL4004453 0.93 JAK2 (0.55) BCL6JAK2AXLEGFRCDK2
SCHEMBL29557519 0.92 BCL6 (0.53) BCL6JAK2AXLEGFRCDK2
SCHEMBL3999464 0.92 BCL6 (0.53) BCL6JAK2AXLEGFRCDK2
SCHEMBL3999690 0.91 JAK2 (0.52) BCL6JAK2AXLEGFRCDK2
SCHEMBL4001539 0.89 JAK2 (0.64) BCL6JAK2AXLEGFRCDK2
SCHEMBL19305237 0.87 AXL (0.52) BCL6JAK2AXLEGFRCDK2
SCHEMBL3997298 0.87 SYK (0.57) JAK2AXLEGFRCDK2JAK3
SCHEMBL19305241 0.85 JAK2 (0.57) BCL6JAK2AXLEGFRCDK2
SCHEMBL3999278 0.85 EGFR (0.63) BCL6JAK2AXLEGFRCDK2
SCHEMBL4003539 0.84 BCL6 (0.63) BCL6JAK2AXLEGFRCDK2

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
EP-1904457-B1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS INC (US) 2017-09-06 EP 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
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 BCL6 652/4885JAK2 3/4885AXL 542/4885
US-11198689-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 BCL6 194/4885JAK2 2/4885AXL 1595/4885
US-11827628-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 BCL6 194/4885JAK2 2/4885AXL 1595/4885
US-20220098181-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 BCL6 194/4885JAK2 2/4885AXL 1595/4885
US-20170298054-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 BCL6 194/4885JAK2 2/4885AXL 1595/4885
US-20200181130-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 BCL6 194/4885JAK2 2/4885AXL 1595/4885
US-20080306099-A1 Prevent transplant rejection; autoimmune diseases JAK3, JAK1, JAK2 BCL6 632/4885JAK2 3/4885AXL 2671/4885
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 BCL6 722/4885JAK2 3/4885AXL 814/4885
US-10421752-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 BCL6 194/4885JAK2 2/4885AXL 1595/4885

“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.