SCHEMBL1606136

SCHEMBL1606136

CCN1CCN(c2ccc(Nc3ncc(C)c(Nc4cccc(CNS(=O)(=O)C5CC5)c4)n3)cc2C)CC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 9/20 0.55
PDGFRB P09619 2/20 0.51
PDGFRA P16234 2/20 0.51
WEE1 P30291 1/20 0.49
ALK Q9UM73 1/20 0.49
EGFR P00533 2/20 0.49
JAK1 P23458 6/20 0.48
JAK2 O60674 5/20 0.48
JAK3 P52333 2/20 0.47
BRDT Q58F21 1/20 0.47
NTRK1 P04629 1/20 0.46

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
SCHEMBL1607283 0.93 PDGFRB (0.55) BRD4PDGFRBPDGFRAWEE1ALK
SCHEMBL1607349 0.86 PDGFRA (0.47) BRD4PDGFRBPDGFRAWEE1ALK
SCHEMBL1606787 0.83 JAK1 (0.58) BRD4WEE1ALKJAK1JAK2
SCHEMBL1606882 0.83 BRD4 (0.54) BRD4EGFRJAK1JAK2JAK3
SCHEMBL1607143 0.81 BRD4 (0.54) BRD4WEE1ALKEGFRJAK1
SCHEMBL4971380 0.81 BRD4 (0.53) BRD4WEE1ALKEGFRJAK1
SCHEMBL1607336 0.81 BRD4 (0.51) BRD4EGFRJAK1JAK2JAK3
SCHEMBL4971147 0.81 JAK3 (0.56) BRD4WEE1ALKEGFRJAK1
SCHEMBL4973231 0.81 BRD4 (0.53) BRD4WEE1ALKEGFRJAK1
SCHEMBL4972808 0.80 BRD4 (0.51) BRD4WEE1ALKEGFRJAK1

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 538/4885PDGFRB 322/4885PDGFRA 422/4885
US-20080279867-A1 Prevent trabsplant rejection; autoimmune diseases JAK3, JAK1, JAK2 BRD4 2500/4885PDGFRB 504/4885PDGFRA 689/4885

“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.