SCHEMBL1606485

SCHEMBL1606485

CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccccc4CNS(=O)(=O)N(C)C)n3)cc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AXL P30530 3/20 0.72
NEK2 P51955 1/20 0.72
CCNK O75909 3/20 0.65
CCNA2 P20248 3/20 0.65
CDK2 P24941 3/20 0.65
CCND3 P30281 3/20 0.65
CDK9 P50750 3/20 0.65
CDK6 Q00534 3/20 0.65
MAP3K7 O43318 4/20 0.63
ALK Q9UM73 2/20 0.62
EGFR P00533 1/20 0.61
MAPK1 P28482 2/20 0.60
MAP2K1 Q02750 2/20 0.60
FGFR1 P11362 1/20 0.60
SRC P12931 1/20 0.60
AURKA O14965 1/20 0.59
AURKB Q96GD4 1/20 0.59
SLC2A1 P11166 1/20 0.57
BRD4 O60885 6/20 0.55

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
SCHEMBL1607653 0.92 BRD4 (0.66) AXLNEK2CCNKCCNA2CDK2
SCHEMBL1607068 0.90 AXL (0.57) AXLNEK2CCNKCCNA2CDK2
SCHEMBL1605529 0.89 CCNA2 (0.66) AXLNEK2CCNKCCNA2CDK2
SCHEMBL1607913 0.89 AXL (0.58) AXLNEK2CCNKCCNA2CDK2
SCHEMBL1606483 0.87 ALK (0.64) AXLNEK2CCNKCCNA2CDK2
SCHEMBL1606568 0.84 CCNA2 (0.60) AXLNEK2CCNKCCNA2CDK2
SCHEMBL1606530 0.81 BRD4 (0.53) AXLNEK2CCNKCCNA2CDK2
SCHEMBL21432463 0.81 AXL (0.73) AXLNEK2CCNKCCNA2CDK2
SCHEMBL1606535 0.81 CCNK (0.58) AXLNEK2CCNKCCNA2CDK2
SCHEMBL1607169 0.79 ALK (0.54) AXLNEK2CCNKCCNA2CDK2

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 AXL 1118/4885NEK2 628/4885CCNK 753/4885
US-20080279867-A1 Prevent trabsplant rejection; autoimmune diseases JAK3, JAK1, JAK2 AXL 1478/4885NEK2 2976/4885CCNK 2488/4885

“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.