SCHEMBL4359779

SCHEMBL4359779

O=C1CCc2cccc(c2)Nc2nc(ncc2Cl)Nc2cccc1c2

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 15/20 0.64
JAK1 P23458 15/20 0.64
JAK3 P52333 15/20 0.64
ALK Q9UM73 10/20 0.61
STK4 Q13043 1/20 0.57
STK3 Q13188 1/20 0.57
STK26 Q9P289 1/20 0.57
STK24 Q9Y6E0 1/20 0.57
TYK2 P29597 13/20 0.54

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 SCHEMBL1074063 0.91 JAK2 (0.55) JAK2JAK1JAK3ALKSTK4
SCHEMBL4359366 0.90 ALK (0.71) JAK2JAK1JAK3ALKSTK4
SCHEMBL1076874 0.86 ALK (0.63) JAK2JAK1JAK3ALKSTK4
SCHEMBL1075664 0.85 ALK (0.65) JAK2JAK1JAK3ALKSTK4
SCHEMBL1075075 0.84 ALK (0.64) JAK2JAK1JAK3ALKSTK4
SCHEMBL1075133 0.83 JAK2 (0.83) JAK2JAK1JAK3ALKSTK4
SCHEMBL1073309 0.83 JAK2 (0.83) JAK2JAK1JAK3ALKSTK4
SCHEMBL1076004 0.82 JAK2 (0.69) JAK2JAK1JAK3ALKSTK4
SCHEMBL13623205 0.82 JAK2 (0.69) JAK2JAK1JAK3ALKSTK4
Hydrochloric Acid SCHEMBL1074541 0.82 JAK2 (0.82) JAK2JAK1JAK3ALKSTK4

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 7 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
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US 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
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 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 (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.