SCHEMBL1607119

SCHEMBL1607119

CN1CCC(c2ccc(Nc3ncc(Cl)c(Nc4ccc(CNS(=O)(=O)C5CC5)cc4)n3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 8/20 0.57
STAT6 P42226 1/20 0.53
ALK Q9UM73 1/20 0.50
AXL P30530 6/20 0.49
JAK2 O60674 2/20 0.49
KCNH2 Q12809 1/20 0.49
JAK1 P23458 1/20 0.48
TYK2 P29597 1/20 0.48
FLT3 P36888 1/20 0.48
JAK3 P52333 1/20 0.48
EGFR P00533 1/20 0.47
WEE1 P30291 1/20 0.47
AURKA O14965 1/20 0.47
AURKB Q96GD4 1/20 0.47

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
SCHEMBL1606774 0.92 BRD4 (0.63) BRD4STAT6ALKJAK2JAK3
SCHEMBL1607781 0.90 STAT6 (0.53) BRD4STAT6JAK2JAK1TYK2
SCHEMBL1607483 0.90 BRD4 (0.53) BRD4STAT6ALKAXLKCNH2
SCHEMBL1607912 0.89 AXL (0.53) BRD4STAT6ALKAXLKCNH2
SCHEMBL1606218 0.83 BRD4 (0.53) BRD4ALKAXLJAK2JAK1
SCHEMBL1607436 0.82 EGFR (0.58) BRD4AXLTYK2JAK3EGFR
SCHEMBL4973250 0.82 NTRK1 (0.55) BRD4JAK2JAK1TYK2FLT3
SCHEMBL1606982 0.81 BRD4 (0.69) BRD4ALKAXL
SCHEMBL1607993 0.80 BRD4 (0.63) BRD4ALKAXLJAK2
SCHEMBL1606424 0.80 NTRK1 (0.54) BRD4STAT6ALKJAK2JAK1

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 538/4885STAT6 14/4885ALK 557/4885
US-20080279867-A1 Prevent trabsplant rejection; autoimmune diseases JAK3, JAK1, JAK2 BRD4 2500/4885STAT6 37/4885ALK 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.