SCHEMBL1607022

SCHEMBL1607022

CCNS(=O)(=O)NCc1ccc(Nc2nc(Nc3cc(C)c(OC)c(C)c3)ncc2C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 11/20 0.47
JAK3 P52333 10/20 0.47
JAK1 P23458 8/20 0.47
CYP3A4 P08684 4/20 0.47
BRD4 O60885 3/20 0.46
AURKA O14965 2/20 0.45
FLT3 P36888 5/20 0.44
TYK2 P29597 3/20 0.44
EGFR P00533 5/20 0.43
BTK Q06187 3/20 0.43
ITK Q08881 2/20 0.42
CYP1A2 P05177 1/20 0.42
CDC7 O00311 1/20 0.42
PLK4 O00444 1/20 0.42
CHEK1 O14757 1/20 0.42
DCLK1 O15075 1/20 0.42
PDPK1 O15530 1/20 0.42
DAPK3 O43293 1/20 0.42
ROCK2 O75116 1/20 0.42
MAP4K4 O95819 1/20 0.42

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
SCHEMBL1608188 0.94 JAK2 (0.55) JAK2JAK3JAK1CYP3A4BRD4
SCHEMBL1605650 0.94 BRD4 (0.44) JAK2JAK3JAK1CYP3A4BRD4
SCHEMBL1606307 0.92 BRD4 (0.56) JAK2JAK3JAK1CYP3A4BRD4
SCHEMBL1607095 0.92 BRD4 (0.47) JAK2JAK3JAK1BRD4AURKA
SCHEMBL1606990 0.92 BRD4 (0.45) JAK2JAK3JAK1CYP3A4BRD4
SCHEMBL1605709 0.90 EGFR (0.52) JAK2JAK3JAK1CYP3A4AURKA
SCHEMBL1606950 0.88 BRD4 (0.50) JAK2JAK3JAK1CYP3A4BRD4
SCHEMBL1606951 0.88 BRD4 (0.45) JAK2JAK3JAK1BRD4AURKA
SCHEMBL1606973 0.87 BRD4 (0.46) JAK2JAK3JAK1CYP3A4BRD4
SCHEMBL1606250 0.86 BRD4 (0.52) JAK2JAK3JAK1CYP3A4BRD4

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 JAK2 2/4885JAK3 1/4885JAK1 3/4885
US-20080279867-A1 Prevent trabsplant rejection; autoimmune diseases JAK3, JAK1, JAK2 JAK2 3/4885JAK3 1/4885JAK1 2/4885

“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.