SCHEMBL1476433

SCHEMBL1476433

CNS(=O)(=O)c1cc(Nc2ncc(C)c(Nc3ccc(Cc4ccncc4)cc3)n2)ccc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 8/20 0.52
AURKA O14965 3/20 0.46
JAK3 P52333 6/20 0.45
JAK2 O60674 4/20 0.45
EGFR P00533 4/20 0.45
CDK1 P06493 3/20 0.45
CDK2 P24941 3/20 0.45
SYK P43405 3/20 0.45
RET P07949 3/20 0.45
FLT3 P36888 3/20 0.45
ALK Q9UM73 3/20 0.45
ITK Q08881 3/20 0.45
PLK4 O00444 2/20 0.45
PDPK1 O15530 2/20 0.45
DAPK3 O43293 2/20 0.45
MAP4K4 O95819 2/20 0.45
PAK4 O96013 2/20 0.45
CHEK2 O96017 2/20 0.45
ERBB2 P04626 2/20 0.45
NTRK1 P04629 2/20 0.45

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
SCHEMBL1476480 0.91 JAK3 (0.54) BRD4AURKAJAK3JAK2EGFR
SCHEMBL17915903 0.83 BRD4 (0.53) BRD4AURKAJAK3JAK2EGFR
SCHEMBL4005005 0.82 SYK (0.66) AURKAJAK3JAK2EGFRCDK1
SCHEMBL1474223 0.82 BRD4 (0.54) BRD4AURKAJAK3JAK2EGFR
SCHEMBL761051 0.82 BRD4 (0.56) BRD4JAK3JAK2EGFRRET
SCHEMBL1474551 0.81 CDK2 (0.56) AURKAJAK3JAK2EGFRCDK1
SCHEMBL4973550 0.81 BRD4 (0.53) BRD4AURKAJAK3JAK2EGFR
SCHEMBL264434 0.81 JAK2 (0.66) BRD4AURKAJAK3JAK2EGFR
SCHEMBL301278 0.81 BRD4 (0.50) BRD4AURKAJAK3JAK2EGFR
SCHEMBL1474141 0.80 JAK3 (0.66) BRD4AURKAJAK3JAK2EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9593082-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2017-03-14 US claimed
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 538/4885AURKA 751/4885JAK3 1/4885
US-20170121291-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 BRD4 538/4885AURKA 751/4885JAK3 1/4885
US-20190256476-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 BRD4 538/4885AURKA 751/4885JAK3 1/4885
US-20070203161-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 BRD4 538/4885AURKA 751/4885JAK3 1/4885
US-20080221089-A1 Prevent transplant rejection; autoimmune diseases JAK3, JAK1, JAK2 BRD4 2296/4885AURKA 3449/4885JAK3 1/4885
US-20100152218-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 BRD4 538/4885AURKA 751/4885JAK3 1/4885

“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.