SCHEMBL4000402

SCHEMBL4000402

COc1c(C)cc(Nc2ncc(F)c(Nc3ccc4c(c3)NC(=O)C(F)(F)O4)n2)cc1S(N)(=O)=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 7/20 0.62
JAK1 P23458 6/20 0.62
SYK P43405 15/20 0.56
JAK2 O60674 4/20 0.56
EGFR P00533 3/20 0.56
LCK P06239 3/20 0.56
LYN P07948 3/20 0.56
FGFR4 P22455 2/20 0.56
TYRO3 Q06418 3/20 0.48
AURKA O14965 3/20 0.48
PLK4 O00444 2/20 0.48
PDPK1 O15530 2/20 0.48
DAPK3 O43293 2/20 0.48
PAK4 O96013 2/20 0.48
ERBB2 P04626 2/20 0.48
NTRK1 P04629 2/20 0.48
PRKCG P05129 2/20 0.48
INSR P06213 2/20 0.48
FYN P06241 2/20 0.48
CDK1 P06493 2/20 0.48

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
SCHEMBL2103358 0.84 SYK (0.62) JAK3JAK1SYKJAK2EGFR
SCHEMBL1474333 0.84 JAK3 (0.80) JAK3JAK1SYKJAK2EGFR
SCHEMBL2101538 0.83 SYK (0.69) JAK3JAK1SYKJAK2EGFR
SCHEMBL1384343 0.83 SYK (0.61) JAK3JAK1SYKJAK2EGFR
SCHEMBL2102943 0.80 SYK (0.62) JAK3JAK1SYKJAK2EGFR
SCHEMBL1474375 0.80 JAK3 (0.56) JAK3JAK1SYKJAK2EGFR
SCHEMBL2100694 0.80 SYK (0.60) JAK3JAK1SYKJAK2EGFR
SCHEMBL658283 0.79 SYK (0.73) JAK3JAK1SYKJAK2EGFR
SCHEMBL2785795 0.79 SYK (0.73) JAK3JAK1SYKJAK2EGFR
SCHEMBL2102264 0.79 SYK (0.62) JAK3JAK1SYKJAK2EGFR

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
EP-1904457-B1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS INC (US) 2017-09-06 EP claimed
US-9732073-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2017-08-15 US claimed
US-20160102084-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2016-04-14 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 (10 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-11198689-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 JAK3 1/4885JAK1 3/4885SYK 80/4885
US-11827628-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 JAK3 1/4885JAK1 3/4885SYK 80/4885
US-20220098181-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 JAK3 1/4885JAK1 3/4885SYK 80/4885
US-20170298054-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 JAK3 1/4885JAK1 3/4885SYK 80/4885
US-20200181130-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 JAK3 1/4885JAK1 3/4885SYK 80/4885
US-20080306099-A1 Prevent transplant rejection; autoimmune diseases JAK3, JAK1, JAK2 JAK3 1/4885JAK1 2/4885SYK 268/4885
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 2/4885SYK 192/4885
US-20160102084-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 JAK3 1/4885JAK1 3/4885SYK 80/4885
US-10421752-B2 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.