SCHEMBL9281978

SCHEMBL9281978

CN(C)C(=O)c1cc(-c2cnn(CCCO)c2)ccc1N

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 14/20 0.47
CYP3A4 P08684 3/20 0.47
ABL1 P00519 1/20 0.47
PAICS P22234 1/20 0.42
IKBKE Q14164 1/20 0.42
TBK1 Q9UHD2 1/20 0.42
NTRK1 P04629 1/20 0.41
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
MET P08581 1/20 0.40
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
ATM Q13315 1/20 0.39
ATR Q13535 1/20 0.39

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
SCHEMBL15283999 0.89 IKBKE (0.41) MAP4K1CYP3A4ABL1PAICSIKBKE
SCHEMBL9280625 0.85 IKBKE (0.46) ABL1PAICSIKBKETBK1NTRK1
SCHEMBL15284003 0.84 IKBKE (0.46) ABL1PAICSIKBKETBK1NTRK1
SCHEMBL15284346 0.83 PRKAB2 (0.46) ABL1PAICSIKBKETBK1NTRK1
SCHEMBL9277430 0.82 IKBKE (0.45) ABL1PAICSIKBKETBK1NTRK1
SCHEMBL3720411 0.70 MAP4K1 (0.54) MAP4K1CYP3A4ABL1
SCHEMBL3723999 0.69 MAP4K1 (0.56) MAP4K1CYP3A4ABL1
SCHEMBL28668942 0.68 FGFR3 (0.47)
SCHEMBL9289123 0.68 PDK2 (0.39) ABL1IKBKETBK1NTRK1MET
SCHEMBL9289026 0.68 MAPT (0.41) PAICSIKBKETBK1NTRK1MET

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 MAP4K1 38/4885CYP3A4 2521/4885ABL1 34/4885

“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.