SCHEMBL1606408

SCHEMBL1606408

Nc1cnc(Nc2ccc3cn[nH]c3c2)nc1Nc1cccc(S(N)(=O)=O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 13/20 0.58
JAK1 P23458 11/20 0.58
SYK P43405 7/20 0.55
BTK Q06187 4/20 0.52
LYN P07948 3/20 0.52
CDK1 P06493 3/20 0.52
CDK2 P24941 3/20 0.52
FLT3 P36888 3/20 0.52
CDK5 Q00535 3/20 0.52
KDR P35968 3/20 0.52
CDC7 O00311 2/20 0.52
PLK4 O00444 2/20 0.52
CHEK1 O14757 2/20 0.52
AURKA O14965 2/20 0.52
DCLK1 O15075 2/20 0.52
PDPK1 O15530 2/20 0.52
DAPK3 O43293 2/20 0.52
JAK2 O60674 2/20 0.52
ROCK2 O75116 2/20 0.52
MAP4K4 O95819 2/20 0.52

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
SCHEMBL13666817 0.82 JAK3 (0.49) JAK3JAK1SYKBTKLYN
SCHEMBL12638710 0.78 SYK (0.52) JAK3SYKCDK2FLT3CDK5
SCHEMBL1606409 0.78 JAK3 (0.52) JAK3JAK1SYKBTKLYN
SCHEMBL764418 0.77 SYK (0.67) JAK3JAK1SYKCDK1KDR
SCHEMBL13896212 0.76 TNNI3K (0.55) JAK3JAK1SYKBTKLYN
SCHEMBL12872817 0.76 SYK (0.63) SYKLYNJAK2LCKEGFR
SCHEMBL1633881 0.75 KDR (0.59) JAK3JAK1SYKCDK1CDK2
SCHEMBL4005818 0.75 JAK3 (0.71) JAK3JAK1SYKBTKLYN
SCHEMBL4258546 0.74 JAK3 (0.84) JAK3JAK1SYKBTKLYN
SCHEMBL6081930 0.74 KDR (0.59) CDK1CDK2KDRCDC7MAPK1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304422-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2012-11-06 US claimed
US-7947698-B2 Prevent trabsplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. (US) 2011-05-24 US claimed
US-20110082146-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2011-04-07 US claimed
US-20080279867-A1 Prevent trabsplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. 2008-11-13 US claimed
WO-2008118822-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2008-10-02 WO claimed
US-8304422-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2012-11-06 US disclosed
US-8304422-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2012-11-06 US disclosed
US-7947698-B2 Prevent trabsplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. (US) 2011-05-24 US disclosed
US-7947698-B2 Prevent trabsplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. (US) 2011-05-24 US disclosed
US-20110082146-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2011-04-07 US disclosed
US-20110082146-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2011-04-07 US disclosed
US-20080279867-A1 Prevent trabsplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. 2008-11-13 US disclosed
US-20080279867-A1 Prevent trabsplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. 2008-11-13 US disclosed
WO-2008118822-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2008-10-02 WO 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-20110082146-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 JAK3 1/4885JAK1 3/4885SYK 62/4885
US-20080279867-A1 Prevent trabsplant rejection; autoimmune diseases JAK3, JAK1, JAK2 JAK3 1/4885JAK1 2/4885SYK 130/4885

“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.