SCHEMBL1607781

SCHEMBL1607781

CCc1cnc(Nc2ccc(C3CCN(C)CC3)cc2)nc1Nc1ccc(CNS(=O)(=O)C2CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 1/20 0.53
BRD4 O60885 10/20 0.49
JAK2 O60674 2/20 0.49
JAK3 P52333 3/20 0.48
JAK1 P23458 1/20 0.48
TYK2 P29597 1/20 0.48
FLT3 P36888 1/20 0.48
CSF1R P07333 1/20 0.45
AURKA O14965 1/20 0.45
TBK1 Q9UHD2 1/20 0.44
MAP4K1 Q92918 3/20 0.44

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
SCHEMBL1607119 0.90 BRD4 (0.57) STAT6BRD4JAK2JAK3JAK1
SCHEMBL1607655 0.89 BRD4 (0.60) STAT6BRD4JAK2FLT3
SCHEMBL1607185 0.82 BRD4 (0.51) BRD4JAK2JAK3JAK1TYK2
SCHEMBL1606774 0.82 BRD4 (0.63) STAT6BRD4JAK2JAK3
SCHEMBL1607933 0.81 BRD4 (0.61) STAT6BRD4JAK2FLT3MAP4K1
SCHEMBL1606681 0.81 SYK (0.50) BRD4JAK2JAK3JAK1TYK2
SCHEMBL1607483 0.81 BRD4 (0.53) STAT6BRD4AURKA
SCHEMBL1607941 0.79 BRD4 (0.60) STAT6BRD4JAK2FLT3MAP4K1
SCHEMBL1607920 0.79 BRD4 (0.49) BRD4JAK2JAK3JAK1TYK2
SCHEMBL1607375 0.79 JAK2 (0.52) BRD4JAK2JAK3JAK1TYK2

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 STAT6 14/4885BRD4 538/4885JAK2 2/4885
US-20080279867-A1 Prevent trabsplant rejection; autoimmune diseases JAK3, JAK1, JAK2 STAT6 37/4885BRD4 2500/4885JAK2 3/4885

“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.