SCHEMBL1606129

SCHEMBL1606129

Cc1cc(CNS(=O)(=O)NC2CC2)ccc1Nc1nc(Nc2ccc(N3CCN(C)CC3)nc2)ncc1Cl

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.52
CTSC P53634 1/20 0.51
CCNK O75909 2/20 0.50
CCNA2 P20248 2/20 0.50
CDK2 P24941 2/20 0.50
CCND3 P30281 2/20 0.50
CDK9 P50750 2/20 0.50
CDK6 Q00534 2/20 0.50
AXL P30530 8/20 0.48
ROS1 P08922 2/20 0.46
ALK Q9UM73 2/20 0.46
AURKA O14965 1/20 0.45
AURKB Q96GD4 1/20 0.45
NEK2 P51955 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
SCHEMBL1607751 0.92 BRD4 (0.62) BRD4CCNKCCNA2CDK2CCND3
SCHEMBL1606499 0.91 BRD4 (0.58) BRD4CTSCCCNKCCND3CDK9
SCHEMBL1606449 0.90 TNK2 (0.56) BRD4CCNKCCNA2CDK2CCND3
SCHEMBL1606178 0.85 BRD4 (0.57) BRD4
SCHEMBL1607993 0.83 BRD4 (0.63) BRD4CCNKCCNA2CDK2CCND3
SCHEMBL1606729 0.82 BRD4 (0.68) BRD4CCNKCCNA2CDK2CCND3
SCHEMBL1607117 0.82 BRD4 (0.60) BRD4ALK
SCHEMBL1606740 0.82 CCNK (0.63) BRD4CCNKCCNA2CDK2CCND3
SCHEMBL2474071 0.82 NTRK1 (0.53) BRD4CCNA2CDK2CDK9AXL
SCHEMBL1606866 0.81 EGFR (0.59) BRD4CCNKCCNA2CDK2CCND3

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 BRD4 538/4885CTSC 2997/4885CCNK 753/4885
US-20080279867-A1 Prevent trabsplant rejection; autoimmune diseases JAK3, JAK1, JAK2 BRD4 2500/4885CTSC 1558/4885CCNK 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.