Sugi Predict

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SCHEMBL1076649

SCHEMBL1076649

O=C(NCc1ccccc1)c1cc2cc(c1)OCCSc1cccc(c1)Nc1nc(ncc1Cl)N2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 14/20 0.42
▸ JAK1 P23458 13/20 0.42
▸ JAK3 P52333 13/20 0.42
▸ TYK2 P29597 12/20 0.42
▸ ALK Q9UM73 6/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PSMD14 O00487 1/20 0.35
▸ COPS5 Q92905 1/20 0.35
▸ HPGD P15428 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ HPGDS O60760 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ CHEK2 O96017 1/20 0.34

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 SCHEMBL4361193 0.96 JAK2 (0.39) JAK2JAK1JAK3TYK2ALK
SCHEMBL1075265 0.89 JAK2 (0.42) JAK2JAK1JAK3TYK2ALK
Trifluoroacetic Acid SCHEMBL4356421 0.85 JAK2 (0.39) JAK2JAK1JAK3TYK2ALK
SCHEMBL13623173 0.83 JAK2 (0.42) JAK2JAK1JAK3TYK2ALK
SCHEMBL1075516 0.82 JAK2 (0.40) JAK2JAK1JAK3TYK2ALK
SCHEMBL1082702 0.80 JAK2 (0.40) JAK2JAK1JAK3TYK2ALK
SCHEMBL1075574 0.80 JAK2 (0.42) JAK2JAK1JAK3TYK2ALK
Trifluoroacetic Acid SCHEMBL4356679 0.80 JAK2 (0.41) JAK2JAK1JAK3TYK2ALK
SCHEMBL1074393 0.80 JAK2 (0.51) JAK2JAK1JAK3TYK2ALK
SCHEMBL1074234 0.79 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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.