SCHEMBL1607185

SCHEMBL1607185

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 9/20 0.51
PDGFRA P16234 3/20 0.51
PDGFRB P09619 1/20 0.51
NTRK1 P04629 2/20 0.49
WEE1 P30291 5/20 0.49
ALK Q9UM73 5/20 0.49
CDK9 P50750 3/20 0.49
JAK2 O60674 3/20 0.49
FLT3 P36888 3/20 0.49
JAK3 P52333 3/20 0.49
PTK2 Q05397 3/20 0.49
CDK2 P24941 2/20 0.49
CDK6 Q00534 2/20 0.49
AURKA O14965 2/20 0.49
DAPK3 O43293 2/20 0.49
PRKD3 O94806 2/20 0.49
MAP4K4 O95819 2/20 0.49
PAK4 O96013 2/20 0.49
LCK P06239 2/20 0.49
FYN P06241 2/20 0.49

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
SCHEMBL1607655 0.92 BRD4 (0.60) BRD4ALKCDK9JAK2FLT3
SCHEMBL1606681 0.88 SYK (0.50) BRD4PDGFRAPDGFRBJAK2FLT3
SCHEMBL1607781 0.82 STAT6 (0.53) BRD4JAK2FLT3JAK3AURKA
SCHEMBL1607283 0.82 PDGFRB (0.55) BRD4PDGFRAPDGFRBWEE1ALK
SCHEMBL1607349 0.81 PDGFRA (0.47) BRD4PDGFRAPDGFRBNTRK1WEE1
SCHEMBL1607193 0.80 PDGFRA (0.61) BRD4PDGFRAPDGFRBNTRK1WEE1
SCHEMBL1606690 0.79 BRD4 (0.60) BRD4WEE1ALKJAK2FLT3
SCHEMBL1606566 0.79 PDGFRA (0.59) BRD4PDGFRAPDGFRBNTRK1WEE1
SCHEMBL1607920 0.79 BRD4 (0.49) BRD4PDGFRAPDGFRBNTRK1ALK
SCHEMBL1607375 0.79 JAK2 (0.52) BRD4ALKJAK2FLT3JAK3

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 538/4885PDGFRA 422/4885PDGFRB 322/4885
US-20080279867-A1 Prevent trabsplant rejection; autoimmune diseases JAK3, JAK1, JAK2 BRD4 2500/4885PDGFRA 689/4885PDGFRB 504/4885

“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.