Sugi Predict

Sugi Predict / Compounds / SCHEMBL1076290

SCHEMBL1076290

SCHEMBL1076290

O=C(C[C@@H]1CCN(C(=O)Nc2cccc(F)c2)C1)Nc1ccc2cc1CCc1cncc(c1)Nc1ncc(Cl)c(n1)N2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 6/20 0.41
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ CYP2D6 P10635 5/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.34
▸ USP2 O75604 3/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ CYP2C19 P33261 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ FAAH O00519 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL1074452 1.00 ALK (0.41) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4352120 0.96 ALK (0.38) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4361040 0.96 ALK (0.38) ALKJAK2JAK1TYK2JAK3
SCHEMBL1075469 0.96 ALK (0.42) ALKJAK2JAK1TYK2JAK3
SCHEMBL1074851 0.93 ALK (0.39) ALKJAK2JAK1TYK2JAK3
SCHEMBL1075696 0.93 ALK (0.39) ALKJAK2JAK1TYK2JAK3
SCHEMBL1076311 0.93 ALK (0.42) ALKJAK2JAK1TYK2JAK3
SCHEMBL1073677 0.93 ALK (0.42) ALKJAK2JAK1TYK2JAK3
SCHEMBL1075960 0.93 ALK (0.42) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4365232 0.93 ALK (0.39) ALKJAK2JAK1TYK2JAK3

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 ALK 3/4885JAK2 1/4885JAK1 2/4885

“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.