SCHEMBL1474905

SCHEMBL1474905

CNS(=O)(=O)c1cc(Nc2ncc(C)c(Nc3ccc4c(cnn4CC4CCCCC4)c3)n2)ccc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 13/20 0.51
TNNI3K Q59H18 2/20 0.40
SYK P43405 5/20 0.39
JAK3 P52333 4/20 0.39
JAK1 P23458 2/20 0.39
EGFR P00533 3/20 0.39
PLK4 O00444 2/20 0.39
AURKA O14965 2/20 0.39
DAPK3 O43293 2/20 0.39
JAK2 O60674 2/20 0.39
PAK4 O96013 2/20 0.39
NTRK1 P04629 2/20 0.39
INSR P06213 2/20 0.39
LCK P06239 2/20 0.39
FYN P06241 2/20 0.39
CSF1R P07333 2/20 0.39
LYN P07948 2/20 0.39
RET P07949 2/20 0.39
ROS1 P08922 2/20 0.39
KIT P10721 2/20 0.39

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
SCHEMBL1477154 0.92 BRD4 (0.49) BRD4SYKJAK3JAK1EGFR
SCHEMBL1474516 0.83 JAK3 (0.60) BRD4TNNI3KSYKJAK3JAK1
SCHEMBL1475679 0.81 BRD4 (0.47) BRD4TNNI3KSYKJAK3JAK1
SCHEMBL1473773 0.81 BRD4 (0.50) BRD4SYKJAK3JAK1EGFR
SCHEMBL1474382 0.81 JAK3 (0.54) BRD4SYKJAK3JAK1EGFR
SCHEMBL1475379 0.81 BRD4 (0.57) BRD4SYKJAK3JAK1JAK2
SCHEMBL1475245 0.79 JAK3 (0.62) BRD4SYKJAK3JAK1EGFR
SCHEMBL1475726 0.78 BRD4 (0.54) BRD4TNNI3KSYKJAK3JAK1
SCHEMBL1474545 0.77 BRD4 (0.47) BRD4SYKJAK3JAK1EGFR
SCHEMBL1476311 0.76 JAK3 (0.48) BRD4SYKJAK3JAK1EGFR

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 538/4885TNNI3K 255/4885SYK 62/4885
US-20170121291-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 BRD4 538/4885TNNI3K 255/4885SYK 62/4885
US-20190256476-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 BRD4 538/4885TNNI3K 255/4885SYK 62/4885
US-20070203161-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 BRD4 538/4885TNNI3K 255/4885SYK 62/4885
US-20080221089-A1 Prevent transplant rejection; autoimmune diseases JAK3, JAK1, JAK2 BRD4 2296/4885TNNI3K 407/4885SYK 233/4885
US-20100152218-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 BRD4 538/4885TNNI3K 255/4885SYK 62/4885

“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.