SCHEMBL1074135

SCHEMBL1074135

O=C(Nc1cc2cc(c1)OCCSc1cccc(c1)Nc1nc(ncc1Cl)N2)c1ccno1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 15/20 0.44
JAK1 P23458 15/20 0.44
JAK3 P52333 15/20 0.44
TYK2 P29597 13/20 0.44
ALK Q9UM73 6/20 0.44
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
AXL P30530 1/20 0.34
FLT3 P36888 1/20 0.34
TYRO3 Q06418 1/20 0.34
MERTK Q12866 1/20 0.34
RXFP2 Q8WXD0 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
BACE1 P56817 1/20 0.33

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
Trifluoroacetic Acid SCHEMBL4364665 0.96 JAK2 (0.41) JAK2JAK1JAK3TYK2ALK
SCHEMBL13669972 0.92 JAK2 (0.43) JAK2JAK1JAK3TYK2ALK
SCHEMBL1075574 0.89 JAK2 (0.42) JAK2JAK1JAK3TYK2ALK
SCHEMBL1074234 0.88 JAK2 (0.45) JAK2JAK1JAK3TYK2ALK
SCHEMBL1075519 0.88 JAK2 (0.44) JAK2JAK1JAK3TYK2ALK
SCHEMBL1073345 0.87 JAK2 (0.42) JAK2JAK1JAK3TYK2ALK
Trifluoroacetic Acid SCHEMBL4358061 0.86 JAK2 (0.39) JAK2JAK1JAK3TYK2ALK
SCHEMBL1074649 0.86 JAK2 (0.42) JAK2JAK1JAK3TYK2ALK
SCHEMBL1074779 0.85 JAK2 (0.45) JAK2JAK1JAK3TYK2ALK
Trifluoroacetic Acid SCHEMBL4356679 0.85 JAK2 (0.41) JAK2JAK1JAK3TYK2ALK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US claimed
EP-2274288-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Incyte Corporation (US) 2011-01-19 EP claimed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US claimed
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 WO claimed
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US 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 (1 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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK JAK2 1/4885JAK1 2/4885JAK3 4/4885

“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.