SCHEMBL1474360

SCHEMBL1474360

CCCN1C(=O)COc2ccc(Nc3nc(Nc4ccc(C)c(S(=O)(=O)NC)c4)ncc3C)cc21

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 16/20 0.47
SYK P43405 2/20 0.44
JAK1 P23458 2/20 0.44
JAK3 P52333 2/20 0.44
ALK Q9UM73 2/20 0.40
INSR P06213 1/20 0.40
JAK2 O60674 2/20 0.40
FLT3 P36888 2/20 0.40
EGFR P00533 1/20 0.40
BUB1B O60566 1/20 0.39
RET P07949 1/20 0.39
BRD2 P25440 1/20 0.39
WEE1 P30291 1/20 0.39
BRD3 Q15059 1/20 0.39
BRDT Q58F21 1/20 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
SCHEMBL1474755 0.94 BRD4 (0.47) BRD4SYKJAK1JAK3ALK
SCHEMBL1474814 0.93 EGFR (0.45) BRD4SYKJAK3ALKINSR
SCHEMBL1476475 0.93 ALK (0.49) BRD4SYKJAK3ALKINSR
SCHEMBL1474851 0.93 BRD4 (0.47) BRD4SYKJAK1JAK3ALK
SCHEMBL1475197 0.92 JAK3 (0.51) BRD4SYKJAK1JAK3ALK
SCHEMBL1474435 0.87 INSR (0.48) BRD4SYKJAK3ALKINSR
SCHEMBL1476326 0.86 EGFR (0.42) BRD4SYKALKINSREGFR
SCHEMBL1476693 0.86 EGFR (0.43) BRD4SYKJAK3ALKINSR
SCHEMBL1474659 0.85 JAK3 (0.55) BRD4SYKJAK1JAK3ALK
SCHEMBL1473803 0.85 EGFR (0.44) BRD4SYKJAK1JAK3ALK

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-20080221089-A1 Prevent transplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. 2008-09-11 US claimed
WO-2008079907-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2008-07-03 WO 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 538/4885SYK 62/4885JAK1 3/4885
US-20170121291-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 BRD4 538/4885SYK 62/4885JAK1 3/4885
US-20190256476-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 BRD4 538/4885SYK 62/4885JAK1 3/4885
US-20070203161-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 BRD4 538/4885SYK 62/4885JAK1 3/4885
US-20080221089-A1 Prevent transplant rejection; autoimmune diseases JAK3, JAK1, JAK2 BRD4 2296/4885SYK 233/4885JAK1 2/4885
US-20100152218-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 BRD4 538/4885SYK 62/4885JAK1 3/4885

“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.