SCHEMBL1607342

SCHEMBL1607342

CCCOc1c(C)cc(Nc2ncc(Cl)c(Nc3ccc(CNS(=O)(=O)NC4CC4)cc3)n2)cc1C

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 10/20 0.45
ALK Q9UM73 3/20 0.42
PTK2 Q05397 3/20 0.40
AXL P30530 1/20 0.39
EGFR P00533 1/20 0.39
NTRK1 P04629 1/20 0.38
INSR P06213 1/20 0.38
AURKA O14965 1/20 0.38

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
SCHEMBL1607619 0.93 BRD4 (0.46) BRD4ALKPTK2AXLEGFR
SCHEMBL1607423 0.93 BRD4 (0.44) BRD4ALKPTK2AXLEGFR
SCHEMBL1606339 0.92 ALK (0.42) BRD4ALKPTK2AXLEGFR
SCHEMBL1605349 0.91 BRD4 (0.46) BRD4ALKPTK2AXLEGFR
SCHEMBL1606102 0.89 JAK2 (0.48) BRD4ALKPTK2AXLEGFR
SCHEMBL1607039 0.89 BRD4 (0.45) BRD4ALKPTK2EGFRNTRK1
SCHEMBL1606177 0.88 BRD4 (0.51) BRD4ALKPTK2EGFRNTRK1
SCHEMBL2475717 0.86 BRD4 (0.46) BRD4ALKPTK2AXLNTRK1
SCHEMBL1606892 0.85 BRD4 (0.46) BRD4ALKPTK2AXLEGFR
SCHEMBL1607687 0.85 PTK2 (0.41) BRD4ALKPTK2AXLEGFR

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 9 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
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 538/4885ALK 557/4885PTK2 468/4885
US-20080279867-A1 Prevent trabsplant rejection; autoimmune diseases JAK3, JAK1, JAK2 BRD4 2500/4885ALK 707/4885PTK2 314/4885

“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.