SCHEMBL12904538

SCHEMBL12904538

C[S+]([O-])c1ncc(C(N)=O)c(NCc2ccccc2)n1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 4/20 0.55
▸ JAK1 P23458 4/20 0.55
▸ JAK3 P52333 4/20 0.55
▸ STAT6 P42226 13/20 0.54
▸ SYK P43405 1/20 0.48
▸ AURKA O14965 2/20 0.47
▸ RPS6KB1 P23443 2/20 0.47
▸ TYK2 P29597 1/20 0.47
▸ IRAK4 Q9NWZ3 1/20 0.47

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
SCHEMBL12904999 0.81 JAK2 (0.60) JAK2JAK1JAK3STAT6SYK
SCHEMBL2387160 0.79 STAT6 (0.61) JAK2JAK1JAK3STAT6SYK
SCHEMBL12904539 0.78 STAT6 (0.58) JAK2JAK1JAK3STAT6SYK
SCHEMBL13735693 0.77 JAK3 (0.53) JAK2JAK1JAK3SYKTYK2
SCHEMBL2384993 0.77 JAK2 (0.56) JAK2JAK1JAK3STAT6SYK
SCHEMBL17013479 0.76 PDE5A (0.51) STAT6
SCHEMBL914058 0.76 VNN1 (0.41) JAK2JAK1JAK3SYK
SCHEMBL2386600 0.76 STAT6 (0.81) JAK2JAK1JAK3STAT6SYK
SCHEMBL16816047 0.75 PDE5A (0.66) —
SCHEMBL13734126 0.75 MAPK8 (0.50) JAK2SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853230-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2014-10-07 — — US disclosed
US-8853230-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2014-10-07 — — US disclosed
US-20130137673-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 — — US disclosed
US-20130137673-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 — — US disclosed
US-8367689-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-02-05 — — US disclosed
US-8367689-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-02-05 — — US disclosed
US-20110005947-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2011-01-13 — — US disclosed
US-20110005947-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2011-01-13 — — US disclosed
WO-2010129802-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-11 — — 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 (2 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-20130137673-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 JAK2 2/4885JAK1 1/4885JAK3 3/4885
US-20110005947-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 JAK2 2/4885JAK1 1/4885JAK3 3/4885

“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.

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