SCHEMBL9280625

SCHEMBL9280625

CNC(=O)c1cc(-c2cnn(CCCO)c2)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 6/20 0.46
TBK1 Q9UHD2 6/20 0.46
NTRK1 P04629 1/20 0.42
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
PAICS P22234 6/20 0.42
PIK3CA P42336 2/20 0.39
FGFR1 P11362 1/20 0.39
FGFR3 P22607 1/20 0.39
KDR P35968 1/20 0.39
MTOR P42345 1/20 0.39
ATM Q13315 1/20 0.39
ATR Q13535 1/20 0.39
PIK3CD O00329 1/20 0.38
PIP5K1C O60331 1/20 0.38
PIK3CB P42338 1/20 0.38
PI4KA P42356 1/20 0.38
PIK3CG P48736 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
MET P08581 1/20 0.38

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
SCHEMBL9277430 0.97 IKBKE (0.45) IKBKETBK1NTRK1PRMT5WDR77
SCHEMBL15284003 0.90 IKBKE (0.46) IKBKETBK1NTRK1PRMT5WDR77
SCHEMBL15284346 0.89 PRKAB2 (0.46) IKBKETBK1NTRK1PRMT5WDR77
SCHEMBL9281978 0.85 MAP4K1 (0.47) IKBKETBK1NTRK1PRMT5WDR77
SCHEMBL15283999 0.83 IKBKE (0.41) IKBKETBK1NTRK1PRMT5WDR77
SCHEMBL15284480 0.82 CCNC (0.41) IKBKETBK1PRMT5WDR77PAICS
SCHEMBL9289026 0.79 MAPT (0.41) IKBKETBK1NTRK1PAICSPIK3CA
SCHEMBL9289123 0.79 PDK2 (0.39) IKBKETBK1NTRK1FGFR1FGFR3
SCHEMBL15284112 0.78 KIT (0.38) IKBKETBK1PIK3CAKDRMET
SCHEMBL15283917 0.77 PDK2 (0.40) IKBKETBK1NTRK1PAICSFGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2646448-B1 MACROCYCLIC KINASE INHIBITORS OSI PHARMACEUTICALS LLC (US) 2017-08-30 EP disclosed
US-9133224-B2 Macrocyclic kinase inhibitors OSI Pharmaceuticals, LLC (US) 2015-09-15 US disclosed
EP-2646448-A1 MACROCYCLIC KINASE INHIBITORS OSI Pharmaceuticals, LLC (US) 2013-10-09 EP disclosed
US-20130261086-A1 MACROCYCLIC KINASE INHIBITORS OSI Pharmaceuticals, LLC (US) 2013-10-03 US disclosed
WO-2012074951-A1 MACROCYCLIC KINASE INHIBITORS OSI Pharmaceuticals, LLC (US) 2012-06-07 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-20130261086-A1 MACROCYCLIC KINASE INHIBITORS PTK2, SRC, PTK2B IKBKE 341/4885TBK1 782/4885NTRK1 1224/4885

“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.