SCHEMBL12085409

SCHEMBL12085409

CN(C)C(=O)COc1ccc(Nc2nc(NC3CCC3)c3cc[nH]c3n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 14/20 0.57
▸ BTK Q06187 12/20 0.57
▸ IRAK4 Q9NWZ3 1/20 0.54
▸ PAK4 O96013 1/20 0.50
▸ SYK P43405 4/20 0.46

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
SCHEMBL12085408 0.90 IRAK4 (0.53) JAK3BTKIRAK4PAK4
SCHEMBL12085486 0.88 JAK3 (0.56) JAK3BTKIRAK4PAK4SYK
SCHEMBL12085376 0.83 JAK3 (0.61) JAK3BTKIRAK4PAK4SYK
SCHEMBL4377709 0.82 JAK3 (0.61) JAK3BTKIRAK4PAK4SYK
SCHEMBL4381539 0.81 JAK3 (0.60) JAK3BTKIRAK4PAK4SYK
SCHEMBL4382922 0.81 JAK3 (0.59) JAK3BTKIRAK4PAK4SYK
SCHEMBL1019356 0.80 SYK (0.62) JAK3BTKIRAK4PAK4SYK
SCHEMBL14547700 0.80 PAK4 (0.53) JAK3BTKIRAK4PAK4
SCHEMBL12085334 0.80 JAK3 (0.63) JAK3BTKIRAK4PAK4SYK
SCHEMBL4302796 0.80 JAK3 (0.63) JAK3BTKIRAK4PAK4SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139581-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2015-09-22 — — US disclosed
US-20130029944-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2013-01-31 — — US disclosed
US-8258144-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-09-04 — — US disclosed
US-20090298823-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-03 — — 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 (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-20130029944-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK2 JAK3 6/4885BTK 2/4885IRAK4 42/4885
US-20090298823-A1 Inhibitors of protein kinases SYK, BTK, JAK2 JAK3 6/4885BTK 2/4885IRAK4 42/4885

“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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