SCHEMBL1607423

SCHEMBL1607423

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 14/20 0.44
JAK2 O60674 5/20 0.40
FLT3 P36888 4/20 0.40
JAK3 P52333 4/20 0.40
TYK2 P29597 3/20 0.40
JAK1 P23458 2/20 0.40
AURKA O14965 2/20 0.40
EGFR P00533 2/20 0.39
BTK Q06187 2/20 0.39
BRD2 P25440 1/20 0.38
BRD3 Q15059 1/20 0.38
BRDT Q58F21 1/20 0.38
CDC7 O00311 1/20 0.38
PLK4 O00444 1/20 0.38
CHEK1 O14757 1/20 0.38
DCLK1 O15075 1/20 0.38
PDPK1 O15530 1/20 0.38
DAPK3 O43293 1/20 0.38
ROCK2 O75116 1/20 0.38
MAP4K4 O95819 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
SCHEMBL1606892 0.93 BRD4 (0.46) BRD4JAK2FLT3JAK3TYK2
SCHEMBL1607342 0.93 BRD4 (0.45) BRD4AURKAEGFRNTRK1INSR
SCHEMBL1606973 0.90 BRD4 (0.46) BRD4JAK2FLT3JAK3TYK2
SCHEMBL1607056 0.89 JAK3 (0.52) BRD4JAK2FLT3JAK3TYK2
SCHEMBL1606919 0.88 BRD4 (0.44) BRD4JAK2FLT3JAK3TYK2
SCHEMBL1607694 0.87 JAK2 (0.52) BRD4JAK2FLT3JAK3TYK2
SCHEMBL1607619 0.85 BRD4 (0.46) BRD4EGFRBTKNTRK1AXL
SCHEMBL2473931 0.85 BRD4 (0.46) BRD4JAK2FLT3JAK3TYK2
SCHEMBL1606339 0.84 ALK (0.42) BRD4JAK2FLT3JAK3TYK2
SCHEMBL1605349 0.83 BRD4 (0.46) BRD4JAK2FLT3JAK3TYK2

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 538/4885JAK2 2/4885FLT3 46/4885
US-20080279867-A1 Prevent trabsplant rejection; autoimmune diseases JAK3, JAK1, JAK2 BRD4 2500/4885JAK2 3/4885FLT3 775/4885

“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.