SCHEMBL6520499

SCHEMBL6520499

CC[C@H](CO)Nc1ncc(-c2cnc3[nH]ccc3n2)c(N([C@H]2CCCNC2)S(C)(=O)=O)n1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.57
JAK3 P52333 19/20 0.57
JAK1 P23458 3/20 0.57

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
SCHEMBL8223240 1.00 JAK2 (0.57) JAK2JAK3JAK1
SCHEMBL8220476 1.00 JAK2 (0.57) JAK2JAK3JAK1
SCHEMBL6525499 1.00 JAK2 (0.57) JAK2JAK3JAK1
SCHEMBL6525003 0.87 JAK2 (0.55) JAK2JAK3JAK1
SCHEMBL8222508 0.87 JAK2 (0.55) JAK2JAK3JAK1
SCHEMBL8216745 0.84 JAK2 (0.56) JAK2JAK3JAK1
SCHEMBL8216749 0.84 JAK2 (0.56) JAK2JAK3JAK1
SCHEMBL8224445 0.84 ALOX5AP (0.43) JAK2JAK3JAK1
SCHEMBL8224443 0.84 ALOX5AP (0.43) JAK2JAK3JAK1
SCHEMBL8219667 0.80 JAK2 (0.53) JAK2JAK3JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8618103-B2 Inhibitors of JAK HOFFMANN-LA ROCHE INC. (US) 2013-12-31 US claimed
US-20110059118-A1 INHIBITORS OF JAK DE VICENTE FIDALGO JAVIER 2011-03-10 US claimed
US-8618103-B2 Inhibitors of JAK HOFFMANN-LA ROCHE INC. (US) 2013-12-31 US disclosed
EP-2475667-A1 INHIBITORS OF JAK F. Hoffmann-La Roche AG (CH) 2012-07-18 EP disclosed
WO-2011029804-A1 INHIBITORS OF JAK F. HOFFMANN-LA ROCHE AG (CH) 2011-03-17 WO disclosed
US-20110059118-A1 INHIBITORS OF JAK DE VICENTE FIDALGO JAVIER 2011-03-10 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-20110059118-A1 INHIBITORS OF JAK JAK1, JAK3, JAK2 JAK2 3/4885JAK3 2/4885JAK1 1/4885

“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.