SCHEMBL13623173

SCHEMBL13623173

O=C(Cc1ccccc1)Nc1cc2cc(c1)OCCSc1cccc(c1)Nc1nc(ncc1Cl)N2

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 13/20 0.42
JAK1 P23458 13/20 0.42
JAK3 P52333 13/20 0.42
TYK2 P29597 12/20 0.42
ALK Q9UM73 8/20 0.42
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CSF1R P07333 1/20 0.33
IGF1R P08069 1/20 0.33
KDR P35968 1/20 0.33
PTK2 Q05397 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
SCHEMBL1075265 0.90 JAK2 (0.42) JAK2JAK1JAK3TYK2ALK
SCHEMBL1074779 0.89 JAK2 (0.45) JAK2JAK1JAK3TYK2ALK
SCHEMBL1075519 0.88 JAK2 (0.44) JAK2JAK1JAK3TYK2ALK
Trifluoroacetic Acid SCHEMBL4356421 0.86 JAK2 (0.39) JAK2JAK1JAK3TYK2ALK
SCHEMBL1075574 0.86 JAK2 (0.42) JAK2JAK1JAK3TYK2ALK
SCHEMBL13669782 0.86 JAK2 (0.43) JAK2JAK1JAK3TYK2ALK
Trifluoroacetic Acid SCHEMBL4365336 0.85 JAK2 (0.41) JAK2JAK1JAK3TYK2ALK
Trifluoroacetic Acid SCHEMBL4356679 0.84 JAK2 (0.41) JAK2JAK1JAK3TYK2ALK
SCHEMBL1074135 0.84 JAK2 (0.44) JAK2JAK1JAK3TYK2ALK
SCHEMBL1074234 0.84 JAK2 (0.45) 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 5 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 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.