SCHEMBL1607066

SCHEMBL1607066

CN(C)S(=O)(=O)NCc1ccc(Nc2nc(Nc3ccc(N4CCC(F)(F)CC4)cc3)ncc2Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 2/20 0.51
AXL P30530 2/20 0.51
NEK2 P51955 1/20 0.51
LRRK2 Q5S007 1/20 0.48
CCNK O75909 1/20 0.48
CCND3 P30281 1/20 0.48
CDK9 P50750 1/20 0.48
CDK6 Q00534 1/20 0.48
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
BRD4 O60885 7/20 0.47
AURKA O14965 1/20 0.47
AURKB Q96GD4 1/20 0.47
SYK P43405 2/20 0.47
JAK3 P52333 1/20 0.46
NTRK1 P04629 2/20 0.46
CTSC P53634 1/20 0.45

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
SCHEMBL1606528 0.91 PDGFRB (0.58) PDGFRBPDGFRABRD4SYKJAK3
SCHEMBL1606483 0.89 ALK (0.64) ALKAXLNEK2LRRK2CCNK
SCHEMBL1607068 0.88 AXL (0.57) ALKAXLNEK2CCNKCCND3
SCHEMBL1605810 0.80 PDGFRB (0.59) PDGFRBPDGFRABRD4SYKJAK3
SCHEMBL2474254 0.80 NTRK1 (0.56) AXLCDK9AURKAAURKBNTRK1
SCHEMBL1607652 0.80 BRD4 (0.71) ALKBRD4JAK3
SCHEMBL1606530 0.79 BRD4 (0.53) AXLNEK2CCNKCCND3CDK9
SCHEMBL1607912 0.79 AXL (0.53) ALKAXLNEK2CCNKCCND3
SCHEMBL1606681 0.79 SYK (0.50) LRRK2PDGFRBPDGFRABRD4AURKA
SCHEMBL1606566 0.78 PDGFRA (0.59) ALKLRRK2CCNKCCND3CDK9

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 ALK 557/4885AXL 1118/4885NEK2 628/4885
US-20080279867-A1 Prevent trabsplant rejection; autoimmune diseases JAK3, JAK1, JAK2 ALK 707/4885AXL 1478/4885NEK2 2976/4885

“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.