SCHEMBL1607193

SCHEMBL1607193

CCNS(=O)(=O)NCc1ccc(Nc2nc(Nc3ccc(N4CCN(CC)CC4)cc3)ncc2C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRA P16234 2/20 0.61
WEE1 P30291 2/20 0.61
ALK Q9UM73 2/20 0.61
PDGFRB P09619 1/20 0.61
CDK9 P50750 2/20 0.54
CCNK O75909 1/20 0.54
CCNA2 P20248 1/20 0.54
CDK2 P24941 1/20 0.54
CCND3 P30281 1/20 0.54
CDK6 Q00534 1/20 0.54
BRD4 O60885 15/20 0.53
JAK2 O60674 3/20 0.53
FLT3 P36888 2/20 0.53
NTRK1 P04629 2/20 0.51
JAK3 P52333 2/20 0.50
JAK1 P23458 1/20 0.50
BRD2 P25440 1/20 0.50
BRD3 Q15059 1/20 0.50
BRDT Q58F21 1/20 0.50
AURKA O14965 1/20 0.50

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
SCHEMBL1607293 0.92 BRD4 (0.63) WEE1ALKBRD4JAK2FLT3
SCHEMBL1606566 0.89 PDGFRA (0.59) PDGFRAWEE1ALKPDGFRBCDK9
SCHEMBL1605810 0.88 PDGFRB (0.59) PDGFRAPDGFRBBRD4JAK2FLT3
SCHEMBL1607196 0.87 CCNA2 (0.62) PDGFRAWEE1ALKPDGFRBCDK9
SCHEMBL1606532 0.84 BRD4 (0.69) WEE1ALKBRD4JAK2FLT3
SCHEMBL1606411 0.83 ALK (0.66) PDGFRAWEE1ALKPDGFRBCDK9
SCHEMBL1607283 0.81 PDGFRB (0.55) PDGFRAWEE1ALKPDGFRBBRD4
SCHEMBL1606788 0.80 BRD4 (0.68) BRD4JAK2FLT3JAK3JAK1
SCHEMBL1607185 0.80 BRD4 (0.51) PDGFRAWEE1ALKPDGFRBCDK9
SCHEMBL1607652 0.80 BRD4 (0.71) WEE1ALKBRD4JAK2FLT3

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 PDGFRA 422/4885WEE1 859/4885ALK 557/4885
US-20080279867-A1 Prevent trabsplant rejection; autoimmune diseases JAK3, JAK1, JAK2 PDGFRA 689/4885WEE1 1753/4885ALK 707/4885

“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.