SCHEMBL1606563

SCHEMBL1606563

COc1c(C)cc(Nc2ncc(C(F)(F)F)c(Nc3ccc(CNS(=O)(=O)C4CC4)cc3)n2)cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.50
JAK1 P23458 1/20 0.50
TYK2 P29597 1/20 0.50
FLT3 P36888 1/20 0.50
JAK3 P52333 1/20 0.50
BTK Q06187 1/20 0.49
PTK2 Q05397 10/20 0.48
ULK1 O75385 3/20 0.45
ULK2 Q8IYT8 1/20 0.45
CDK1 P06493 2/20 0.45
CDK4 P11802 2/20 0.45
CCNT1 O60563 1/20 0.44
CCNT2 O60583 1/20 0.44
CCNB2 O95067 1/20 0.44
CCNB1 P14635 1/20 0.44
CCND1 P24385 1/20 0.44
CDK2 P24941 1/20 0.44
CDK7 P50613 1/20 0.44
CDK9 P50750 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44

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
SCHEMBL1606311 0.90 JAK1 (0.56) JAK2JAK1TYK2FLT3JAK3
SCHEMBL1606965 0.89 JAK2 (0.52) JAK2JAK1TYK2FLT3JAK3
SCHEMBL1115593 0.89 AURKA (0.54) JAK2JAK1TYK2FLT3JAK3
SCHEMBL1607375 0.87 JAK2 (0.52) JAK2JAK1TYK2FLT3JAK3
SCHEMBL1606976 0.87 JAK2 (0.52) JAK2JAK1TYK2FLT3JAK3
SCHEMBL1606907 0.85 JAK2 (0.57) JAK2JAK1TYK2FLT3JAK3
SCHEMBL1606407 0.84 JAK2 (0.49) JAK2JAK1TYK2FLT3JAK3
SCHEMBL1606939 0.84 JAK2 (0.51) JAK2JAK1TYK2FLT3JAK3
SCHEMBL1606963 0.83 BRD4 (0.58) JAK2JAK1TYK2FLT3JAK3
SCHEMBL1606839 0.83 BRD4 (0.54) JAK2JAK1TYK2FLT3JAK3

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