SCHEMBL1474545

SCHEMBL1474545

C#CCn1ncc2cc(Nc3nc(Nc4ccc(C)c(S(=O)(=O)NCC)c4)ncc3C)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 11/20 0.47
JAK3 P52333 5/20 0.40
JAK1 P23458 4/20 0.40
SYK P43405 5/20 0.39
JAK2 O60674 3/20 0.38
RET P07949 2/20 0.38
FLT3 P36888 2/20 0.38
ALK Q9UM73 2/20 0.38
PLK4 O00444 1/20 0.38
AURKA O14965 1/20 0.38
PDPK1 O15530 1/20 0.38
DAPK3 O43293 1/20 0.38
MAP4K4 O95819 1/20 0.38
PAK4 O96013 1/20 0.38
CHEK2 O96017 1/20 0.38
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
NTRK1 P04629 1/20 0.38
PRKCG P05129 1/20 0.38
INSR P06213 1/20 0.38

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
SCHEMBL1476311 0.90 JAK3 (0.48) BRD4JAK3JAK1SYKJAK2
SCHEMBL1475379 0.89 BRD4 (0.57) BRD4JAK3JAK1SYKJAK2
SCHEMBL1474649 0.85 BRD4 (0.47) BRD4JAK3JAK1SYKJAK2
SCHEMBL1474510 0.81 JAK3 (0.63) BRD4JAK3JAK1SYKJAK2
SCHEMBL1477068 0.79 BRD4 (0.62) BRD4JAK3JAK1SYKJAK2
SCHEMBL1475679 0.78 BRD4 (0.47) BRD4JAK3JAK1SYKJAK2
SCHEMBL1474747 0.77 BRD4 (0.43) BRD4JAK3JAK1JAK2FLT3
SCHEMBL1474905 0.77 BRD4 (0.51) BRD4JAK3JAK1SYKJAK2
SCHEMBL1475726 0.74 BRD4 (0.54) BRD4JAK3JAK1SYKJAK2
SCHEMBL1474446 0.74 JAK3 (0.50) BRD4JAK3JAK1SYKJAK2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221089-A1 Prevent transplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. 2008-09-11 US claimed
US-20070203161-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. 2007-08-30 US claimed
US-11667611-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2023-06-06 US disclosed
US-20190256476-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2019-08-22 US disclosed
US-20170121291-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2017-05-04 US disclosed
US-9593082-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2017-03-14 US disclosed
US-7915273-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2011-03-29 US disclosed
US-20100152218-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2010-06-17 US disclosed
US-20080221089-A1 Prevent transplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. 2008-09-11 US disclosed
WO-2008079907-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2008-07-03 WO disclosed
US-20070203161-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. 2007-08-30 US 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 (6 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-11667611-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 BRD4 538/4885JAK3 1/4885JAK1 3/4885
US-20170121291-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 BRD4 538/4885JAK3 1/4885JAK1 3/4885
US-20190256476-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 BRD4 538/4885JAK3 1/4885JAK1 3/4885
US-20070203161-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 BRD4 538/4885JAK3 1/4885JAK1 3/4885
US-20080221089-A1 Prevent transplant rejection; autoimmune diseases JAK3, JAK1, JAK2 BRD4 2296/4885JAK3 1/4885JAK1 2/4885
US-20100152218-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 BRD4 538/4885JAK3 1/4885JAK1 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.