SCHEMBL1018471

SCHEMBL1018471

CN(CC(=O)O)S(=O)(=O)c1ccc(Nc2nc(NC3CCC3)c3cc[nH]c3n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 1/20 0.55
▸ JAK3 P52333 15/20 0.53
▸ BTK Q06187 13/20 0.53
▸ PAK4 O96013 1/20 0.51
▸ SYK P43405 2/20 0.50
▸ MERTK Q12866 1/20 0.43

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
SCHEMBL14666821 0.92 SYK (0.54) IRAK4JAK3BTKPAK4SYK
SCHEMBL12085309 0.87 IRAK4 (0.59) IRAK4JAK3BTKPAK4SYK
SCHEMBL1018933 0.86 JAK3 (0.50) IRAK4JAK3BTKPAK4SYK
SCHEMBL4302796 0.81 JAK3 (0.63) IRAK4JAK3BTKPAK4SYK
SCHEMBL12085463 0.80 CCNT1 (0.59) IRAK4JAK3BTKPAK4SYK
SCHEMBL4381539 0.80 JAK3 (0.60) IRAK4JAK3BTKPAK4SYK
SCHEMBL12085376 0.80 JAK3 (0.61) IRAK4JAK3BTKPAK4SYK
SCHEMBL4377709 0.79 JAK3 (0.61) IRAK4JAK3BTKPAK4SYK
SCHEMBL12085425 0.79 MERTK (0.66) IRAK4JAK3BTKPAK4MERTK
SCHEMBL12085427 0.79 IRAK4 (0.58) IRAK4JAK3BTKPAK4SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298823-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-03 — — US claimed
EP-2271631-B1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARM INC (US) 2018-07-04 — — EP disclosed
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-8258144-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-09-04 — — US disclosed
US-8258144-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-09-04 — — US disclosed
EP-2271631-A2 INHIBITORS OF PROTEIN KINASES Portola Pharmaceuticals, Inc. (US) 2011-01-12 — — EP disclosed
US-20090298823-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-03 — — US disclosed
US-20090298823-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-03 — — US disclosed
US-20090298823-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-03 — — US disclosed
WO-2009131687-A2 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2009-10-29 — — WO disclosed
WO-2009131687-A2 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (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 (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 IRAK4 42/4885JAK3 6/4885BTK 2/4885
US-20090298823-A1 Inhibitors of protein kinases SYK, BTK, JAK2 IRAK4 42/4885JAK3 6/4885BTK 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.

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