SCHEMBL1607655

SCHEMBL1607655

CCc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1ccc(CNS(=O)(=O)C2CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 15/20 0.60
JAK2 O60674 2/20 0.54
EGFR P00533 1/20 0.53
CCNK O75909 1/20 0.51
CCND3 P30281 1/20 0.51
CDK9 P50750 1/20 0.51
CDK6 Q00534 1/20 0.51
ALK Q9UM73 1/20 0.51
STAT6 P42226 1/20 0.51
FLT3 P36888 1/20 0.50
FGFR4 P22455 1/20 0.50

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
SCHEMBL1607185 0.92 BRD4 (0.51) BRD4JAK2CCNKCCND3CDK9
SCHEMBL1606681 0.89 SYK (0.50) BRD4JAK2FLT3
SCHEMBL1607781 0.89 STAT6 (0.53) BRD4JAK2STAT6FLT3
SCHEMBL1606690 0.87 BRD4 (0.60) BRD4JAK2EGFRALKSTAT6
SCHEMBL1906357 0.81 BRD4 (0.72) BRD4JAK2FLT3
SCHEMBL1606982 0.81 BRD4 (0.69) BRD4CCNKCCND3CDK9CDK6
SCHEMBL1607993 0.81 BRD4 (0.63) BRD4JAK2CCNKCCND3CDK9
SCHEMBL1607293 0.80 BRD4 (0.63) BRD4JAK2ALKFLT3
SCHEMBL1606411 0.80 ALK (0.66) BRD4JAK2CCNKCCND3CDK9
SCHEMBL1606788 0.80 BRD4 (0.68) BRD4JAK2FLT3

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 538/4885JAK2 2/4885EGFR 529/4885
US-20080279867-A1 Prevent trabsplant rejection; autoimmune diseases JAK3, JAK1, JAK2 BRD4 2500/4885JAK2 3/4885EGFR 1733/4885

“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.