SCHEMBL1606983

SCHEMBL1606983

Cc1cnc(Nc2ccc(CN3CCOCC3)cc2)nc1Nc1ccc(CNS(=O)(=O)C2CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.55
JAK2 O60674 2/20 0.55
TYK2 P29597 2/20 0.55
JAK3 P52333 2/20 0.55
JAK1 P23458 1/20 0.55
BRD4 O60885 3/20 0.51
AXL P30530 2/20 0.50
AURKA O14965 1/20 0.49
AURKB Q96GD4 1/20 0.49
NTRK1 P04629 2/20 0.48
TBK1 Q9UHD2 2/20 0.48
IKBKE Q14164 1/20 0.48
EGFR P00533 4/20 0.47
SYK P43405 1/20 0.47
NUAK1 O60285 1/20 0.47
STK16 O75716 1/20 0.47
CSF1R P07333 1/20 0.47
CSNK2A2 P19784 1/20 0.47
AAK1 Q2M2I8 1/20 0.47
ULK3 Q6PHR2 1/20 0.47

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
SCHEMBL1607436 0.90 EGFR (0.58) TYK2JAK3BRD4AXLAURKA
SCHEMBL1115857 0.89 JAK3 (0.63) FLT3JAK2TYK2JAK3JAK1
SCHEMBL1607126 0.87 JAK1 (0.47) FLT3JAK2TYK2JAK3JAK1
SCHEMBL1607365 0.84 JAK3 (0.58) FLT3JAK2TYK2JAK3JAK1
SCHEMBL4973466 0.82 JAK3 (0.59) FLT3JAK2TYK2JAK3JAK1
SCHEMBL1607145 0.81 JAK1 (0.56) FLT3JAK2TYK2JAK3JAK1
SCHEMBL4971287 0.81 JAK3 (0.56) FLT3JAK2TYK2JAK3JAK1
SCHEMBL1606233 0.81 JAK3 (0.55) FLT3JAK2TYK2JAK3JAK1
SCHEMBL4973874 0.81 JAK3 (0.55) FLT3JAK2TYK2JAK3JAK1
SCHEMBL1607427 0.80 JAK1 (0.47) FLT3JAK2TYK2JAK3JAK1

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-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-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-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 FLT3 46/4885JAK2 2/4885TYK2 9/4885
US-20080279867-A1 Prevent trabsplant rejection; autoimmune diseases JAK3, JAK1, JAK2 FLT3 775/4885JAK2 3/4885TYK2 21/4885

“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.