SCHEMBL1607145

SCHEMBL1607145

Cc1cnc(Nc2ccc(C#N)cc2)nc1Nc1ccc(CNS(=O)(=O)C2CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 6/20 0.56
JAK3 P52333 6/20 0.56
JAK2 O60674 2/20 0.56
FLT3 P36888 2/20 0.56
TYK2 P29597 1/20 0.56
BRD4 O60885 7/20 0.50
SYK P43405 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
GRM5 P41594 2/20 0.44
MAOB P27338 1/20 0.44
AURKA O14965 1/20 0.44
PTK2 Q05397 1/20 0.41
EGFR P00533 1/20 0.41
ITK Q08881 1/20 0.41

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
SCHEMBL1115857 0.92 JAK3 (0.63) JAK1JAK3JAK2FLT3TYK2
SCHEMBL1606374 0.91 JAK3 (0.58) JAK1JAK3JAK2FLT3TYK2
SCHEMBL1607143 0.91 BRD4 (0.54) JAK1JAK3JAK2FLT3TYK2
SCHEMBL1607197 0.89 SYK (0.64) JAK1JAK3JAK2FLT3TYK2
SCHEMBL1607365 0.87 JAK3 (0.58) JAK1JAK3JAK2FLT3TYK2
SCHEMBL4973466 0.85 JAK3 (0.59) JAK1JAK3JAK2FLT3TYK2
SCHEMBL4971287 0.85 JAK3 (0.56) JAK1JAK3JAK2FLT3TYK2
SCHEMBL1607371 0.84 JAK1 (0.56) JAK1JAK3JAK2FLT3TYK2
SCHEMBL1606233 0.84 JAK3 (0.55) JAK1JAK3JAK2FLT3TYK2
SCHEMBL4973874 0.84 JAK3 (0.55) JAK1JAK3JAK2FLT3TYK2

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 JAK1 3/4885JAK3 1/4885JAK2 2/4885
US-20080279867-A1 Prevent trabsplant rejection; autoimmune diseases JAK3, JAK1, JAK2 JAK1 2/4885JAK3 1/4885JAK2 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.