SCHEMBL6927409

SCHEMBL6927409

CC(C)c1coc2c(-c3cn[nH]c3)cnc(N)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.44
LRRK2 Q5S007 2/20 0.40
BTK Q06187 1/20 0.38
JAK2 O60674 2/20 0.35
TYK2 P29597 2/20 0.35
JAK3 P52333 2/20 0.35
JAK1 P23458 2/20 0.35
MTOR P42345 3/20 0.34
PIK3CA P42336 2/20 0.34
ROCK2 O75116 2/20 0.33
ROCK1 Q13464 2/20 0.33
PLK4 O00444 1/20 0.33
AURKA O14965 1/20 0.33
PDPK1 O15530 1/20 0.33
DAPK3 O43293 1/20 0.33
ABL1 P00519 1/20 0.33
EGFR P00533 1/20 0.33
NTRK1 P04629 1/20 0.33
INSR P06213 1/20 0.33
LCK P06239 1/20 0.33

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
SCHEMBL10267357 0.83 LRRK2 (0.46) METLRRK2BTKJAK2TYK2
SCHEMBL6927094 0.74 BTK (0.56) METLRRK2BTKJAK2TYK2
SCHEMBL6926808 0.73 NOS3 (0.36)
SCHEMBL6928039 0.72 MET (0.33) MET
SCHEMBL6925166 0.69 P2RX3 (0.38) MTORPIK3CAABL1EGFRSRC
SCHEMBL6927413 0.68 DHFR (0.32)
SCHEMBL10261382 0.64 BTK (0.59) METLRRK2BTKJAK2TYK2
SCHEMBL19304118 0.64 TRPA1 (0.55) ROCK2ROCK1FEN1
SCHEMBL16386310 0.63 LRRK2 (0.40) METLRRK2BTKJAK2TYK2
SCHEMBL18344741 0.63 LRRK2 (0.39) METLRRK2JAK2TYK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130018038-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2013-01-17 US 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 MET 1391/4885LRRK2 19/4885BTK 2336/4885
US-20120077828-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R MET 1391/4885LRRK2 19/4885BTK 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.