SCHEMBL12085366

SCHEMBL12085366

O=S(=O)(c1ccc(Nc2nc(NC3CCC3)c3cc[nH]c3n2)cc1)N1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 7/20 0.57
▸ BTK Q06187 6/20 0.57
▸ LMNA P02545 1/20 0.55
▸ TTK P33981 1/20 0.51
▸ PIK3CB P42338 1/20 0.51
▸ MAPK8 P45983 1/20 0.51
▸ PTK2 Q05397 1/20 0.51
▸ MERTK Q12866 6/20 0.51
▸ AXL P30530 4/20 0.51
▸ TYRO3 Q06418 3/20 0.51
▸ PAK4 O96013 1/20 0.51
▸ LRRK2 Q5S007 1/20 0.50
▸ ADORA3 P0DMS8 1/20 0.49
▸ IGF1R P08069 1/20 0.48
▸ IRAK4 Q9NWZ3 1/20 0.48

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
SCHEMBL1017765 0.90 SYK (0.58) JAK3BTKMERTKAXLTYRO3
SCHEMBL25107841 0.85 PTK2 (0.69) TTKPIK3CBMAPK8PTK2LRRK2
SCHEMBL12085388 0.84 JAK3 (0.73) JAK3BTKTTKPIK3CBMAPK8
SCHEMBL25107095 0.83 PTK2 (0.71) TTKPIK3CBMAPK8PTK2LRRK2
SCHEMBL25107539 0.82 TTK (0.73) TTKPIK3CBMAPK8PTK2LRRK2
SCHEMBL12085463 0.82 CCNT1 (0.59) JAK3BTKMERTKPAK4IRAK4
SCHEMBL17856870 0.82 TTK (0.73) JAK3BTKTTKPIK3CBMAPK8
SCHEMBL12085326 0.81 BTK (0.80) JAK3BTKPTK2LRRK2
SCHEMBL25107251 0.81 LRRK2 (0.69) TTKPIK3CBMAPK8PTK2LRRK2
SCHEMBL30198584 0.81 LRRK2 (0.69) TTKPIK3CBMAPK8PTK2LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2/4885LMNA 4335/4885
US-20090298823-A1 Inhibitors of protein kinases SYK, BTK, JAK2 JAK3 6/4885BTK 2/4885LMNA 4335/4885

“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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