SCHEMBL1606289

SCHEMBL1606289

CCNS(=O)(=O)NCc1ccccc1Nc1nc(Nc2cc(C)c(OCC)c(C)c2)ncc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKMYT1 Q99640 1/20 0.42
AURKA O14965 3/20 0.41
EGFR P00533 5/20 0.40
JAK3 P52333 5/20 0.40
PTK2 Q05397 4/20 0.39
CDK2 P24941 3/20 0.38
CCNA2 P20248 2/20 0.38
ALK Q9UM73 4/20 0.38
INSR P06213 3/20 0.38
BTK Q06187 3/20 0.38
JAK2 O60674 3/20 0.38
CDC7 O00311 2/20 0.38
PLK4 O00444 2/20 0.38
CHEK1 O14757 2/20 0.38
DCLK1 O15075 2/20 0.38
PDPK1 O15530 2/20 0.38
ROCK2 O75116 2/20 0.38
MAP4K4 O95819 2/20 0.38
PAK4 O96013 2/20 0.38
CHEK2 O96017 2/20 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
SCHEMBL1605710 0.93 JAK3 (0.43) PKMYT1AURKAEGFRJAK3PTK2
SCHEMBL1607534 0.92 ALK (0.47) AURKAEGFRJAK3PTK2CDK2
SCHEMBL1608189 0.89 JAK2 (0.49) PKMYT1AURKAEGFRJAK3PTK2
SCHEMBL1605651 0.89 ALK (0.46) PKMYT1AURKAEGFRJAK3PTK2
SCHEMBL1606308 0.87 PTK2 (0.52) AURKAEGFRJAK3PTK2CDK2
SCHEMBL1606991 0.86 ALK (0.47) PKMYT1AURKAEGFRJAK3PTK2
SCHEMBL1607097 0.85 ALK (0.54) AURKAEGFRJAK3PTK2CDK2
SCHEMBL1606725 0.85 AURKA (0.45) AURKAEGFRJAK3PTK2ALK
SCHEMBL1606952 0.84 INSR (0.53) AURKAEGFRJAK3PTK2CDK2
SCHEMBL1606288 0.83 EGFR (0.52) PKMYT1AURKAEGFRJAK3PTK2

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 PKMYT1 1718/4885AURKA 751/4885EGFR 529/4885
US-20080279867-A1 Prevent trabsplant rejection; autoimmune diseases JAK3, JAK1, JAK2 PKMYT1 1170/4885AURKA 3610/4885EGFR 1733/4885

“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.