SCHEMBL1606225

SCHEMBL1606225

Cc1cnc(Nc2ccc(C(N)=O)cc2)nc1Nc1cccc(CN(C)S(=O)(=O)C2CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.56
ITK Q08881 3/20 0.56
BRD4 O60885 8/20 0.52
PTK2 Q05397 5/20 0.49
JAK3 P52333 5/20 0.49
BTK Q06187 4/20 0.49
LCK P06239 2/20 0.49
CDC7 O00311 1/20 0.49
PLK4 O00444 1/20 0.49
CHEK1 O14757 1/20 0.49
AURKA O14965 1/20 0.49
DCLK1 O15075 1/20 0.49
PDPK1 O15530 1/20 0.49
DAPK3 O43293 1/20 0.49
JAK2 O60674 1/20 0.49
ROCK2 O75116 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
SCHEMBL1606631 0.94 EGFR (0.54) EGFRITKBRD4PTK2JAK3
SCHEMBL1607195 0.92 EGFR (0.51) EGFRITKBRD4PTK2JAK3
SCHEMBL1606836 0.92 LCK (0.52) EGFRITKBRD4PTK2JAK3
SCHEMBL4973975 0.88 JAK3 (0.55) EGFRITKBRD4PTK2JAK3
SCHEMBL1606469 0.87 EGFR (0.54) EGFRITKBRD4JAK3BTK
SCHEMBL4970836 0.87 EGFR (0.51) EGFRITKBRD4PTK2JAK3
SCHEMBL4971061 0.86 JAK3 (0.59) EGFRITKBRD4PTK2JAK3
SCHEMBL1606701 0.85 BRD4 (0.55) EGFRITKBRD4PTK2JAK3
SCHEMBL4972537 0.83 JAK3 (0.61) EGFRITKBRD4PTK2JAK3
SCHEMBL1605891 0.81 JAK3 (0.52) EGFRITKBRD4PTK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304422-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2012-11-06 US claimed
US-7947698-B2 Prevent trabsplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. (US) 2011-05-24 US claimed
US-20110082146-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2011-04-07 US claimed
US-20080279867-A1 Prevent trabsplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. 2008-11-13 US claimed
WO-2008118822-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2008-10-02 WO claimed
US-8304422-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2012-11-06 US disclosed
US-7947698-B2 Prevent trabsplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. (US) 2011-05-24 US disclosed
US-20110082146-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2011-04-07 US disclosed
US-20080279867-A1 Prevent trabsplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. 2008-11-13 US disclosed
WO-2008118822-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2008-10-02 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 (2 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-20110082146-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 EGFR 529/4885ITK 637/4885BRD4 538/4885
US-20080279867-A1 Prevent trabsplant rejection; autoimmune diseases JAK3, JAK1, JAK2 EGFR 1733/4885ITK 315/4885BRD4 2500/4885

“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.