SCHEMBL2467299

SCHEMBL2467299

CNc1nc(Nc2cc(N3CCCC3)c(C)c(S(C)(=O)=O)c2)ncc1-c1n[nH]c2ncc(F)cc12

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AXL P30530 4/20 0.34
BRD4 O60885 8/20 0.33
JAK2 O60674 4/20 0.32
JAK1 P23458 4/20 0.32
JAK3 P52333 3/20 0.32
BRDT Q58F21 3/20 0.32
PAK1 Q13153 1/20 0.32
BRD2 P25440 1/20 0.32
BRD3 Q15059 1/20 0.32
CHEK1 O14757 2/20 0.32
FLT3 P36888 1/20 0.32
LRRK2 Q5S007 2/20 0.31
NTRK1 P04629 1/20 0.31

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
SCHEMBL14634161 0.82 JAK3 (0.43) AXLBRD4JAK2JAK1JAK3
SCHEMBL2434666 0.80 PTGS2 (0.38) JAK2JAK1JAK3LRRK2
SCHEMBL14633921 0.79 SYK (0.35) CHEK1FLT3LRRK2
SCHEMBL14634260 0.78 JAK2 (0.45) JAK2JAK1JAK3PAK1
SCHEMBL14633924 0.77 ABCB11 (0.41) JAK2JAK3PAK1FLT3
SCHEMBL14634215 0.77 CDK2 (0.39) JAK2JAK1JAK3LRRK2
SCHEMBL2471600 0.76 JAK1 (0.47) JAK2JAK1JAK3FLT3LRRK2
SCHEMBL14633931 0.74 JAK3 (0.43) AXLBRD4JAK2JAK1JAK3
SCHEMBL14633768 0.73 PTGS2 (0.37) JAK2JAK1JAK3LRRK2
SCHEMBL14634262 0.72 NTRK1 (0.44) AXLJAK2JAK1JAK3FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US claimed
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US claimed
EP-2552211-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS Glaxo Group Limited (GB) 2013-02-06 EP disclosed
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
WO-2011120025-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-09-29 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-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS MAP3K19, MAP3K1, MAP3K20 AXL 557/4885BRD4 763/4885JAK2 45/4885
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS CDK2, MAP3K19, MAP3K1 AXL 440/4885BRD4 695/4885JAK2 98/4885

“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.