SCHEMBL1607378

SCHEMBL1607378

COc1c(Cl)cc(Nc2ncc(C)c(Nc3ccc(CNS(=O)(=O)N(C)C)cc3)n2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 11/20 0.45
AXL P30530 1/20 0.45
EGFR P00533 4/20 0.43
ITK Q08881 2/20 0.43
JAK1 P23458 4/20 0.42
JAK2 O60674 3/20 0.42
CYP3A4 P08684 3/20 0.42
JAK3 P52333 3/20 0.42
AURKA O14965 1/20 0.42
BTK Q06187 2/20 0.41
HDAC1 Q13547 1/20 0.41

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
SCHEMBL1606079 0.96 BRD4 (0.44) BRD4AXLEGFRITKJAK1
SCHEMBL1607167 0.93 BRD4 (0.47) BRD4AXLEGFRITKJAK2
SCHEMBL1605908 0.91 BRD4 (0.45) BRD4AXLEGFRITKJAK2
SCHEMBL1607192 0.90 BRD4 (0.55) BRD4EGFRITKJAK1JAK2
SCHEMBL1606990 0.88 BRD4 (0.45) BRD4AXLEGFRJAK1JAK2
SCHEMBL1606899 0.88 BRD4 (0.53) BRD4AXLEGFRITKJAK2
SCHEMBL1606207 0.86 BRD4 (0.51) BRD4AXLEGFRITKJAK1
SCHEMBL1607380 0.85 ALK (0.47) BRD4EGFRITKJAK2JAK3
SCHEMBL1605650 0.85 BRD4 (0.44) BRD4AXLEGFRJAK1JAK2
SCHEMBL1606950 0.83 BRD4 (0.50) BRD4AXLEGFRITKJAK1

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 BRD4 538/4885AXL 1118/4885EGFR 529/4885
US-20080279867-A1 Prevent trabsplant rejection; autoimmune diseases JAK3, JAK1, JAK2 BRD4 2500/4885AXL 1478/4885EGFR 1733/4885

“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.