SCHEMBL1474170

SCHEMBL1474170

C#CCOc1ccc(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2C#N)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 8/20 0.70
SYK P43405 7/20 0.70
CDK1 P06493 4/20 0.70
CDK2 P24941 4/20 0.70
AURKA O14965 3/20 0.70
NTRK1 P04629 3/20 0.70
ITK Q08881 3/20 0.70
FLT3 P36888 3/20 0.70
CDK5 Q00535 3/20 0.70
CDC7 O00311 2/20 0.70
PLK4 O00444 2/20 0.70
CHEK1 O14757 2/20 0.70
DCLK1 O15075 2/20 0.70
PDPK1 O15530 2/20 0.70
DAPK3 O43293 2/20 0.70
JAK2 O60674 2/20 0.70
ROCK2 O75116 2/20 0.70
MAP4K4 O95819 2/20 0.70
PAK4 O96013 2/20 0.70
CHEK2 O96017 2/20 0.70

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
SCHEMBL1474324 0.91 CDK2 (0.56) JAK3SYKCDK1CDK2AURKA
SCHEMBL1474794 0.87 SYK (0.67) JAK3SYKCDK1CDK2AURKA
SCHEMBL1475188 0.87 JAK3 (0.67) JAK3SYKCDK1CDK2AURKA
SCHEMBL1474824 0.87 JAK3 (0.74) JAK3SYKCDK1CDK2AURKA
SCHEMBL1474614 0.86 SYK (0.56) JAK3SYKCDK1CDK2AURKA
SCHEMBL1474741 0.85 PTK2 (0.64) JAK3SYKCDK1CDK2AURKA
SCHEMBL1476605 0.85 PTK2 (0.64) JAK3SYKCDK1CDK2AURKA
SCHEMBL20006842 0.83 SYK (1.00) JAK3SYKCDK1CDK2AURKA
SCHEMBL4007188 0.82 SYK (0.81) JAK3SYKCDK1CDK2AURKA
SCHEMBL4001373 0.82 JAK3 (0.81) JAK3SYKCDK1CDK2AURKA

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 JAK3 1/4885SYK 62/4885CDK1 155/4885
US-20170121291-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 JAK3 1/4885SYK 62/4885CDK1 155/4885
US-20190256476-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 JAK3 1/4885SYK 62/4885CDK1 155/4885
US-20070203161-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 JAK3 1/4885SYK 62/4885CDK1 155/4885
US-20080221089-A1 Prevent transplant rejection; autoimmune diseases JAK3, JAK1, JAK2 JAK3 1/4885SYK 233/4885CDK1 537/4885
US-20100152218-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 JAK3 1/4885SYK 62/4885CDK1 155/4885

“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.