SCHEMBL869772

SCHEMBL869772

CC(C)(C)OC(=O)N1CCC(CCn2cc(Br)c3c(N)ncnc32)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRC P12931 5/20 0.49
EGFR P00533 3/20 0.49
BTK Q06187 2/20 0.48
TGFBR1 P36897 4/20 0.47
ABL1 P00519 2/20 0.46
ABL2 P42684 2/20 0.46
FAAH O00519 1/20 0.42
FGFR1 P11362 1/20 0.42
FGFR2 P21802 1/20 0.42
FGFR4 P22455 1/20 0.42
FGFR3 P22607 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
GPR119 Q8TDV5 1/20 0.41

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
SCHEMBL869298 0.89 FAAH (0.42) SRCEGFRBTKFAAHGPR119
SCHEMBL2374068 0.86 BTK (0.46) BTKTGFBR1FGFR1FGFR2FGFR4
SCHEMBL27889143 0.86 BTK (0.52) BTKTGFBR1FGFR1FGFR2FGFR4
SCHEMBL3751306 0.82 PI4KA (0.50) SRCEGFRTGFBR1FAAHFGFR1
SCHEMBL869280 0.82 SRC (0.64) SRCEGFRTGFBR1ABL1ABL2
SCHEMBL16236647 0.80 TGFBR1 (0.52) SRCEGFRBTKTGFBR1ABL1
SCHEMBL3750043 0.79 HSP90AA1 (0.51) HSP90AA1HSP90AB1
SCHEMBL17406898 0.78 TGFBR1 (0.51) SRCEGFRBTKTGFBR1ABL1
SCHEMBL19731470 0.77 TGFBR1 (0.54) SRCEGFRBTKTGFBR1ABL1
SCHEMBL19731469 0.76 TGFBR1 (0.53) SRCEGFRBTKTGFBR1ABL1

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
EP-2549868-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-01-07 EP disclosed
US-8598156-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-12-03 US disclosed
EP-2549868-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2013-01-30 EP disclosed
US-20130018038-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2013-01-17 US disclosed
US-20120077828-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-03-29 US disclosed
WO-2011119663-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-09-29 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-20130018038-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R SRC 2497/4885EGFR 49/4885BTK 2336/4885
US-20120077828-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R SRC 2497/4885EGFR 49/4885BTK 2336/4885

“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.