SCHEMBL1018367

SCHEMBL1018367

CC(=O)N(C)c1ccc(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)c3ccn(S(=O)(=O)c4ccc(C)cc4)c3n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.44
KDR P35968 4/20 0.42
JAK3 P52333 4/20 0.42
EGFR P00533 2/20 0.42
BTK Q06187 2/20 0.42
JAK2 O60674 2/20 0.42
CDC7 O00311 1/20 0.42
PLK4 O00444 1/20 0.42
CHEK1 O14757 1/20 0.42
AURKA O14965 1/20 0.42
DCLK1 O15075 1/20 0.42
PDPK1 O15530 1/20 0.42
DAPK3 O43293 1/20 0.42
ROCK2 O75116 1/20 0.42
MAP4K4 O95819 1/20 0.42
PAK4 O96013 1/20 0.42
CHEK2 O96017 1/20 0.42
ABL1 P00519 1/20 0.42
ERBB2 P04626 1/20 0.42
NTRK1 P04629 1/20 0.42

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
SCHEMBL1017562 0.89 CFD (0.38) BRD4EGFRBTKPTK2ITK
SCHEMBL1041462 0.84 SYK (0.51) BRD4JAK3EGFRJAK2FLT3
SCHEMBL3281003 0.83 PDGFRB (0.40) EGFRCDC7PLK4FGFR1MAPK1
SCHEMBL14547920 0.80 SYK (0.47) JAK3BTKSYK
SCHEMBL1017309 0.79 CA12 (0.46) BRD4KDRJAK3EGFRNTRK1
SCHEMBL1017841 0.78 BRD4 (0.47) BRD4KDRJAK3EGFRBTK
SCHEMBL3280304 0.75 KDR (0.43) KDRJAK3EGFRCDC7CDK1
SCHEMBL1017778 0.74 SYK (0.54) BRD4EGFRJAK2FLT3SYK
SCHEMBL3286230 0.71 SYK (0.41) BRD4MAPK1SYKPTK2IRAK4
SCHEMBL3285562 0.71 SYK (0.41) BRD4KDRMAPK1SYKPTK2

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 6 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
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
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 BRD4 3389/4885KDR 437/4885JAK3 6/4885
US-20090298823-A1 Inhibitors of protein kinases SYK, BTK, JAK2 BRD4 3389/4885KDR 437/4885JAK3 6/4885

“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.