SCHEMBL4007724

SCHEMBL4007724

CNS(=O)(=O)c1ccc(Nc2ncc(F)c(Nc3ccc(Cl)c(C(F)(F)F)c3)n2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.51
PTK2 Q05397 3/20 0.50
ITK Q08881 4/20 0.49
LRRK2 Q5S007 3/20 0.49
AURKA O14965 2/20 0.49
CDC7 O00311 1/20 0.49
PLK4 O00444 1/20 0.49
CHEK1 O14757 1/20 0.49
DCLK1 O15075 1/20 0.49
MAPK13 O15264 1/20 0.49
PDPK1 O15530 1/20 0.49
DYRK3 O43781 1/20 0.49
JAK2 O60674 1/20 0.49
ROCK2 O75116 1/20 0.49
RPS6KA5 O75582 1/20 0.49
PRKD3 O94806 1/20 0.49
MAP4K4 O95819 1/20 0.49
PAK4 O96013 1/20 0.49
CHEK2 O96017 1/20 0.49
ABL1 P00519 1/20 0.49

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
SCHEMBL13924061 0.93 PTK2 (0.52) EGFRPTK2ITKLRRK2AURKA
SCHEMBL16182647 0.87 SYK (0.56) EGFRPTK2ITKLRRK2AURKA
SCHEMBL3999305 0.87 SYK (0.59) EGFRPTK2ITKLRRK2AURKA
SCHEMBL4001033 0.86 EGFR (0.59) EGFRPTK2ITKLRRK2AURKA
SCHEMBL4001986 0.83 SYK (0.58) EGFRPTK2ITKLRRK2AURKA
SCHEMBL654204 0.82 SYK (0.60) PTK2ITKAURKAPLK4PDPK1
SCHEMBL3999711 0.81 SYK (0.63) EGFRITKAURKASYK
SCHEMBL3999269 0.81 STK17A (0.59) EGFRITKAURKAPLK4PDPK1
SCHEMBL24285537 0.80 SYK (0.66) EGFRPTK2ITKLRRK2AURKA
SCHEMBL4001469 0.79 SYK (0.51) EGFRPTK2ITKAURKAPLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20080306099-A1 Prevent transplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. 2008-12-11 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
US-9732073-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2017-08-15 US disclosed
US-20160102084-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2016-04-14 US disclosed
US-9248190-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2016-02-02 US disclosed
US-20140314785-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2014-10-23 US disclosed
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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 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 EGFR 234/4885PTK2 425/4885ITK 59/4885
US-11198689-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 EGFR 621/4885PTK2 519/4885ITK 505/4885
US-11827628-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 EGFR 621/4885PTK2 519/4885ITK 505/4885
US-20220098181-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 EGFR 621/4885PTK2 519/4885ITK 505/4885
US-20170298054-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 EGFR 621/4885PTK2 519/4885ITK 505/4885
US-20200181130-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 EGFR 621/4885PTK2 519/4885ITK 505/4885
US-20080306099-A1 Prevent transplant rejection; autoimmune diseases JAK3, JAK1, JAK2 EGFR 1623/4885PTK2 741/4885ITK 192/4885
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 EGFR 220/4885PTK2 590/4885ITK 125/4885
US-20140314785-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 EGFR 621/4885PTK2 519/4885ITK 505/4885
US-20130142807-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 EGFR 621/4885PTK2 519/4885ITK 505/4885
US-20160102084-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 EGFR 621/4885PTK2 519/4885ITK 505/4885
US-10421752-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 EGFR 621/4885PTK2 519/4885ITK 505/4885

“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.