SCHEMBL1017778

SCHEMBL1017778

CC(=O)N1CCN(c2ccc(Nc3nc(Nc4cccc(C(N)=O)c4)c4ccn(S(=O)(=O)c5ccc(C)cc5)c4n3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SYK P43405 10/20 0.54
FLT3 P36888 1/20 0.52
PIK3CD O00329 1/20 0.47
BRD4 O60885 3/20 0.45
JAK2 O60674 2/20 0.45
EGFR P00533 2/20 0.44
ALK Q9UM73 1/20 0.43
FGFR4 P22455 2/20 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
SCHEMBL1041462 0.91 SYK (0.51) SYKFLT3BRD4JAK2EGFR
SCHEMBL13387229 0.84 FLT3 (0.49) SYKFLT3BRD4EGFRALK
SCHEMBL3280387 0.84 SYK (0.58) SYKFLT3BRD4JAK2EGFR
SCHEMBL3279674 0.84 FLT3 (0.48) SYKFLT3BRD4JAK2EGFR
SCHEMBL13666948 0.83 FLT3 (0.56) SYKFLT3BRD4JAK2ALK
SCHEMBL13951239 0.82 FLT3 (0.48) SYKFLT3BRD4EGFRALK
SCHEMBL3282662 0.82 FLT3 (0.49) SYKFLT3BRD4JAK2ALK
SCHEMBL1017621 0.81 SYK (0.55) SYKFLT3ALKFGFR4
SCHEMBL4379764 0.81 SYK (0.55) SYKFLT3ALKFGFR4
SCHEMBL1019720 0.79 TGFBR1 (0.42) PIK3CDEGFRALK

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 15 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-9139581-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2015-09-22 US 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-20130029944-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2013-01-31 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 SYK 1/4885FLT3 18/4885PIK3CD 45/4885
US-20090298823-A1 Inhibitors of protein kinases SYK, BTK, JAK2 SYK 1/4885FLT3 18/4885PIK3CD 45/4885

“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.