SCHEMBL1607196

SCHEMBL1607196

CCNS(=O)(=O)NCc1ccccc1Nc1nc(Nc2ccc(N3CCN(CC)CC3)cc2)ncc1C

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 4/20 0.62
CDK2 P24941 4/20 0.62
CCNK O75909 2/20 0.62
CCND3 P30281 2/20 0.62
CDK9 P50750 2/20 0.62
CDK6 Q00534 2/20 0.62
PDGFRB P09619 1/20 0.55
PDGFRA P16234 1/20 0.55
WEE1 P30291 1/20 0.55
ALK Q9UM73 1/20 0.55
BRD4 O60885 11/20 0.49
PTK2 Q05397 2/20 0.48
NTRK1 P04629 1/20 0.47
JAK2 O60674 1/20 0.47
FLT3 P36888 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
SCHEMBL1606535 0.92 CCNK (0.58) CCNA2CDK2CCNKCCND3CDK9
SCHEMBL1606568 0.90 CCNA2 (0.60) CCNA2CDK2CCNKCCND3CDK9
SCHEMBL1605811 0.89 PDGFRB (0.53) CCNA2CDK2CCNKCCND3CDK9
SCHEMBL1607193 0.87 PDGFRA (0.61) CCNA2CDK2CCNKCCND3CDK9
SCHEMBL1605529 0.84 CCNA2 (0.66) CCNA2CDK2CCNKCCND3CDK9
SCHEMBL1607653 0.82 BRD4 (0.66) CCNA2CDK2CCNKCCND3CDK9
SCHEMBL1607935 0.82 BRD4 (0.57) ALKBRD4PTK2JAK2
SCHEMBL1607293 0.79 BRD4 (0.63) WEE1ALKBRD4JAK2FLT3
SCHEMBL1606530 0.78 BRD4 (0.53) CCNA2CDK2CCNKCCND3CDK9
SCHEMBL1605710 0.77 JAK3 (0.43) CCNA2CDK2CCNKCDK9PDGFRB

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 CCNA2 1836/4885CDK2 236/4885CCNK 753/4885
US-20080279867-A1 Prevent trabsplant rejection; autoimmune diseases JAK3, JAK1, JAK2 CCNA2 4241/4885CDK2 1590/4885CCNK 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.