SCHEMBL1607209

SCHEMBL1607209

CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc(CNS(N)(=O)=O)cc4)n3)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 2/20 0.67
CDK9 P50750 3/20 0.61
CCNK O75909 2/20 0.61
CCND3 P30281 2/20 0.61
CDK6 Q00534 2/20 0.61
BRD4 O60885 13/20 0.60
NEK2 P51955 2/20 0.59
AXL P30530 1/20 0.59
CCNA2 P20248 1/20 0.59
CDK2 P24941 1/20 0.59
NTRK1 P04629 2/20 0.58
CHEK1 O14757 1/20 0.58
AURKA O14965 1/20 0.58
DAPK3 O43293 1/20 0.58
JAK2 O60674 1/20 0.58
PRKD3 O94806 1/20 0.58
MAP4K4 O95819 1/20 0.58
PAK4 O96013 1/20 0.58
ABL1 P00519 1/20 0.58
LCK P06239 1/20 0.58

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
SCHEMBL1606411 0.90 ALK (0.66) ALKCDK9CCNKCCND3CDK6
SCHEMBL1606483 0.89 ALK (0.64) ALKCDK9CCNKCCND3CDK6
SCHEMBL1607455 0.89 BRD4 (0.58) ALKCDK9CCNKCCND3CDK6
SCHEMBL1606729 0.87 BRD4 (0.68) ALKCDK9CCNKCCND3CDK6
SCHEMBL1606982 0.82 BRD4 (0.69) ALKCDK9CCNKCCND3CDK6
SCHEMBL1605527 0.82 BRD4 (0.66) ALKBRD4NTRK1JAK2JAK3
SCHEMBL24255225 0.81 CCND3 (0.79) ALKCDK9CCNKCCND3CDK6
SCHEMBL1607293 0.80 BRD4 (0.63) ALKBRD4JAK2RETWEE1
SCHEMBL1606740 0.80 CCNK (0.63) ALKCDK9CCNKCCND3CDK6
SCHEMBL24255231 0.80 NTRK1 (0.81) ALKCDK9CCNKCCND3CDK6

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 557/4885CDK9 106/4885CCNK 753/4885
US-20080279867-A1 Prevent trabsplant rejection; autoimmune diseases JAK3, JAK1, JAK2 ALK 707/4885CDK9 686/4885CCNK 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.