SCHEMBL1606982

SCHEMBL1606982

CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc(CCNS(=O)(=O)C5CC5)cc4)n3)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 15/20 0.69
ALK Q9UM73 1/20 0.62
CCNK O75909 2/20 0.57
CCND3 P30281 2/20 0.57
CDK9 P50750 2/20 0.57
CDK6 Q00534 2/20 0.57
MAP3K7 O43318 1/20 0.56
AXL P30530 1/20 0.56
NEK2 P51955 1/20 0.56
CCNA2 P20248 1/20 0.55
CDK2 P24941 1/20 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
SCHEMBL1606964 0.91 BRD4 (0.60) BRD4ALKCCNKCCND3CDK9
SCHEMBL1906357 0.91 BRD4 (0.72) BRD4
SCHEMBL1607609 0.91 BRD4 (0.60) BRD4ALKCCNKCCND3CDK9
SCHEMBL1607993 0.83 BRD4 (0.63) BRD4ALKCCNKCCND3CDK9
SCHEMBL1606729 0.82 BRD4 (0.68) BRD4ALKCCNKCCND3CDK9
SCHEMBL1607209 0.82 ALK (0.67) BRD4ALKCCNKCCND3CDK9
SCHEMBL1607226 0.82 BRD4 (0.49) BRD4ALKCCNKCCND3CDK9
SCHEMBL18757714 0.81 BRD4 (1.00) BRD4ALK
SCHEMBL1885643 0.81 BRD4 (0.70) BRD4ALKCCNKCCND3CDK9
SCHEMBL1607655 0.81 BRD4 (0.60) BRD4ALKCCNKCCND3CDK9

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 BRD4 538/4885ALK 557/4885CCNK 753/4885
US-20080279867-A1 Prevent trabsplant rejection; autoimmune diseases JAK3, JAK1, JAK2 BRD4 2500/4885ALK 707/4885CCNK 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.