SCHEMBL1607436

SCHEMBL1607436

O=S(=O)(NCc1ccc(Nc2nc(Nc3ccc(CN4CCOCC4)cc3)ncc2Cl)cc1)C1CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.58
AXL P30530 6/20 0.56
AURKA O14965 2/20 0.54
AURKB Q96GD4 2/20 0.54
PTK2 Q05397 3/20 0.51
JAK3 P52333 1/20 0.50
BRD4 O60885 1/20 0.50
NTRK1 P04629 2/20 0.49
TBK1 Q9UHD2 2/20 0.49
IKBKE Q14164 1/20 0.49
SYK P43405 1/20 0.48
NUAK1 O60285 1/20 0.47
STK16 O75716 1/20 0.47
CSF1R P07333 1/20 0.47
CSNK2A2 P19784 1/20 0.47
TYK2 P29597 1/20 0.47
AAK1 Q2M2I8 1/20 0.47
ULK3 Q6PHR2 1/20 0.47
BMP2K Q9NSY1 1/20 0.47

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
SCHEMBL1606983 0.90 FLT3 (0.55) EGFRAXLAURKAAURKBJAK3
SCHEMBL1606218 0.83 BRD4 (0.53) EGFRAXLAURKAPTK2JAK3
SCHEMBL4973250 0.83 NTRK1 (0.55) AURKAAURKBPTK2JAK3BRD4
SCHEMBL1607119 0.82 BRD4 (0.57) EGFRAXLAURKAAURKBJAK3
SCHEMBL1606424 0.81 NTRK1 (0.54) AURKAAURKBPTK2JAK3BRD4
SCHEMBL1606780 0.80 BRD4 (0.48) AXLAURKAPTK2JAK3BRD4
SCHEMBL1607288 0.79 BRD4 (0.52) EGFRPTK2JAK3BRD4TYK2
SCHEMBL1606792 0.79 AXL (0.42) EGFRAXLPTK2JAK3BRD4
SCHEMBL1606976 0.79 JAK2 (0.52) EGFRAURKAPTK2JAK3BRD4
SCHEMBL4975164 0.79 NTRK1 (0.59) EGFRAXLAURKAAURKBPTK2

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 529/4885AXL 1118/4885AURKA 751/4885
US-20080279867-A1 Prevent trabsplant rejection; autoimmune diseases JAK3, JAK1, JAK2 EGFR 1733/4885AXL 1478/4885AURKA 3610/4885

“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.