SCHEMBL1473849

SCHEMBL1473849

CNS(=O)(=O)c1cc(Nc2ncc(C)c(Nc3ccc4c(c3)CCC(=O)N4)n2)ccc1C

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.51
ULK1 O75385 9/20 0.50
PTK2 Q05397 4/20 0.49
PTK2B Q14289 3/20 0.48
CDK1 P06493 1/20 0.48
CCNB1 P14635 1/20 0.48
CDK7 P50613 1/20 0.48
SYK P43405 2/20 0.47
JAK1 P23458 1/20 0.47
JAK3 P52333 1/20 0.47
TNNI3K Q59H18 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
SCHEMBL1474483 0.92 INSR (0.50) ULK1PTK2PTK2BCDK1CCNB1
SCHEMBL1475147 0.91 JAK1 (0.54) BRD4ULK1PTK2PTK2BCDK1
SCHEMBL1474485 0.90 PTK2 (0.49) BRD4ULK1PTK2PTK2BCDK1
SCHEMBL1474763 0.90 ULK1 (0.63) ULK1PTK2PTK2BCDK1CCNB1
SCHEMBL1474666 0.90 BRD4 (0.59) BRD4ULK1PTK2PTK2BCDK1
SCHEMBL19654221 0.89 ULK1 (0.55) ULK1PTK2PTK2BCDK1CCNB1
SCHEMBL19654266 0.88 ULK1 (0.61) ULK1PTK2PTK2BCDK1CCNB1
SCHEMBL19654271 0.86 ULK1 (0.57) ULK1PTK2PTK2BCDK1CCNB1
SCHEMBL1475068 0.85 SYK (0.47) BRD4ULK1PTK2PTK2BCDK1
SCHEMBL19654206 0.84 ULK1 (0.59) ULK1PTK2PTK2BCDK1CCNB1

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 538/4885ULK1 705/4885PTK2 468/4885
US-20170121291-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 BRD4 538/4885ULK1 705/4885PTK2 468/4885
US-20190256476-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 BRD4 538/4885ULK1 705/4885PTK2 468/4885
US-20070203161-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 BRD4 538/4885ULK1 705/4885PTK2 468/4885
US-20080221089-A1 Prevent transplant rejection; autoimmune diseases JAK3, JAK1, JAK2 BRD4 2296/4885ULK1 737/4885PTK2 701/4885
US-20100152218-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 BRD4 538/4885ULK1 705/4885PTK2 468/4885

“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.