SCHEMBL4974591

SCHEMBL4974591

Cc1cnc(Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)nc1Nc1cccc(CNS(=O)(=O)C2CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 9/20 0.58
EGFR P00533 5/20 0.54
BTK Q06187 3/20 0.54
ITK Q08881 1/20 0.48
JAK3 P52333 10/20 0.47
JAK1 P23458 7/20 0.46
JAK2 O60674 2/20 0.46
FLT3 P36888 2/20 0.46
TYK2 P29597 1/20 0.46
BUB1B O60566 1/20 0.46
RET P07949 1/20 0.46
BRD2 P25440 1/20 0.46
WEE1 P30291 1/20 0.46
BRD3 Q15059 1/20 0.46
BRDT Q58F21 1/20 0.46
ALK Q9UM73 1/20 0.46

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
SCHEMBL4977102 0.94 BRD4 (0.55) BRD4EGFRBTKITKJAK3
SCHEMBL4972201 0.94 EGFR (0.54) BRD4EGFRBTKITKJAK3
SCHEMBL4974847 0.93 BRD4 (0.55) BRD4EGFRBTKITKJAK3
SCHEMBL4976897 0.92 BRD4 (0.58) BRD4EGFRBTKITKJAK3
SCHEMBL4975511 0.92 BRD4 (0.54) BRD4EGFRBTKITKJAK3
SCHEMBL4971380 0.91 BRD4 (0.53) BRD4EGFRBTKITKJAK3
SCHEMBL4971147 0.89 JAK3 (0.56) BRD4EGFRBTKITKJAK3
SCHEMBL4971047 0.88 EGFR (0.53) BRD4EGFRBTKITKJAK3
SCHEMBL4974495 0.88 FLT3 (0.54) BRD4EGFRBTKITKJAK3
SCHEMBL4973677 0.87 BRD4 (0.55) BRD4EGFRBTKITKJAK3

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-8962643-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2015-02-24 US claimed
EP-1991532-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY Rigel Pharmaceuticals, Inc. (US) 2008-11-19 EP claimed
WO-2007098507-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2007-08-30 WO claimed
US-20070203162-A1 Prevent transplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. 2007-08-30 US claimed
EP-1991532-B1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS INC (US) 2017-01-11 EP disclosed
US-9481654-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2016-11-01 US disclosed
US-20150158824-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2015-06-11 US disclosed
US-8962643-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2015-02-24 US disclosed
EP-1991532-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY Rigel Pharmaceuticals, Inc. (US) 2008-11-19 EP disclosed
WO-2007098507-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2007-08-30 WO disclosed
US-20070203162-A1 Prevent transplant rejection; autoimmune diseases 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 (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-20070203162-A1 Prevent transplant rejection; autoimmune diseases JAK3, JAK1, JAK2 BRD4 2296/4885EGFR 1716/4885BTK 50/4885
US-20150158824-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 BRD4 538/4885EGFR 529/4885BTK 10/4885

“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.