SCHEMBL1473773

SCHEMBL1473773

CNS(=O)(=O)c1cc(Nc2ncc(C)c(Nc3ccc4c(C)nn(CC5CC5)c4c3)n2)ccc1C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 14/20 0.50
SYK P43405 1/20 0.40
KMT2A Q03164 1/20 0.40
JAK3 P52333 3/20 0.40
JAK1 P23458 2/20 0.40
EGFR P00533 1/20 0.39
BTK Q06187 1/20 0.39
JAK2 O60674 2/20 0.39
TBK1 Q9UHD2 1/20 0.39
BUB1B O60566 1/20 0.38
RET P07949 1/20 0.38
BRD2 P25440 1/20 0.38
WEE1 P30291 1/20 0.38
FLT3 P36888 1/20 0.38
BRD3 Q15059 1/20 0.38
BRDT Q58F21 1/20 0.38
ALK Q9UM73 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
SCHEMBL1473498 0.92 BRD4 (0.51) BRD4SYKJAK3JAK1EGFR
SCHEMBL1474663 0.92 BRD4 (0.47) BRD4SYKJAK3JAK1EGFR
SCHEMBL1474845 0.83 JAK3 (0.61) BRD4SYKJAK3JAK1EGFR
SCHEMBL1474905 0.81 BRD4 (0.51) BRD4SYKJAK3JAK1EGFR
SCHEMBL1475726 0.77 BRD4 (0.54) BRD4SYKKMT2AJAK3JAK1
SCHEMBL4973550 0.77 BRD4 (0.53) BRD4SYKJAK3JAK1EGFR
SCHEMBL4973750 0.75 BRD4 (0.51) BRD4JAK3JAK1EGFRBTK
SCHEMBL17915903 0.75 BRD4 (0.53) BRD4SYKKMT2AJAK3JAK1
SCHEMBL301278 0.73 BRD4 (0.50) BRD4SYKKMT2AJAK3JAK1
SCHEMBL1477154 0.73 BRD4 (0.49) 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 10 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
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 538/4885SYK 62/4885KMT2A 2287/4885
US-20170121291-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 BRD4 538/4885SYK 62/4885KMT2A 2287/4885
US-20190256476-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 BRD4 538/4885SYK 62/4885KMT2A 2287/4885
US-20070203161-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 BRD4 538/4885SYK 62/4885KMT2A 2287/4885
US-20080221089-A1 Prevent transplant rejection; autoimmune diseases JAK3, JAK1, JAK2 BRD4 2296/4885SYK 233/4885KMT2A 2295/4885
US-20100152218-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 BRD4 538/4885SYK 62/4885KMT2A 2287/4885

“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.