SCHEMBL17892736

SCHEMBL17892736

O=C(O)N[C@H]1C[C@H](c2nc(Br)c3c(Cl)nccn32)C1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 18/20 0.37
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
MTOR P42345 1/20 0.33
PIK3CG P48736 1/20 0.33
PRKDC P78527 1/20 0.33
RICTOR Q6R327 1/20 0.33
RPTOR Q8N122 1/20 0.33
MAPKAP1 Q9BPZ7 1/20 0.33
MLST8 Q9BVC4 1/20 0.33
IGF1R P08069 1/20 0.32

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
SCHEMBL17892737 1.00 TNK2 (0.37) TNK2PIK3CAPIK3CBMTORPIK3CG
SCHEMBL23042158 0.84 TNK2 (0.42) TNK2IGF1R
SCHEMBL16748883 0.84 TNK2 (0.42) TNK2IGF1R
SCHEMBL25277349 0.81 PIK3CA (0.49) TNK2PIK3CAPIK3CBMTORPIK3CG
SCHEMBL25277348 0.81 PIK3CA (0.49) TNK2PIK3CAPIK3CBMTORPIK3CG
SCHEMBL18099736 0.81 TNK2 (0.41) TNK2IGF1R
SCHEMBL14631362 0.81 TNK2 (0.48) TNK2IGF1R
SCHEMBL14630272 0.81 TNK2 (0.48) TNK2IGF1R
SCHEMBL17893125 0.81 TNK2 (0.45) TNK2PIK3CAPIK3CBMTORPIK3CG
SCHEMBL17892415 0.81 TNK2 (0.45) TNK2PIK3CAPIK3CBMTORPIK3CG

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-20170349593-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-12-07 US disclosed
EP-3240544-A2 BTK INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-11-08 EP disclosed
WO-2016109217-A2 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-07-07 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 (1 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-20170349593-A1 BTK INHIBITORS BTK, SYK, LYN TNK2 183/4885PIK3CA 51/4885PIK3CB 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.