SCHEMBL2061709

SCHEMBL2061709

CN(C)CC(=O)N1CCCC(C)(C)c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ MAPT P10636 2/20 0.39
▸ GAA P10253 1/20 0.37
▸ ALDH1A1 P00352 8/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ MCOLN3 Q8TDD5 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.36
▸ ESPL1 Q14674 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL2061540 0.87 DRD2 (0.42) DRD2SMN1; SMN2MAPTALDH1A1
SCHEMBL1654456 0.86 XIAP (0.40) DRD2SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL2062753 0.85 DRD2 (0.50) DRD2SMN1; SMN2MAPTALDH1A1CYP1A2
SCHEMBL397120 0.84 LMNA (0.42) SMN1; SMN2MAPTALDH1A1LMNAESPL1
SCHEMBL2061297 0.84 BRD4 (0.38) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL4426865 0.82 MAPT (0.55) DRD2SMN1; SMN2MAPTGAAALDH1A1
SCHEMBL2060998 0.82 ALDH1A1 (0.45) SMN1; SMN2MAPTGAAALDH1A1LMNA
SCHEMBL14507881 0.82 ALDH1A1 (0.43) DRD2SMN1; SMN2MAPTALDH1A1CYP1A2
SCHEMBL15404718 0.81 MAPT (0.40) DRD2SMN1; SMN2MAPTGAAALDH1A1
SCHEMBL2060935 0.80 LMNA (0.45) DRD2SMN1; SMN2MAPTALDH1A1MCOLN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2684874-B1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors CEPHALON INC (US) 2017-05-17 — — EP disclosed
EP-2222647-B1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2015-08-05 — — EP disclosed
EP-2684874-A1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors Cephalon, Inc. (US) 2014-01-15 — — EP disclosed
US-8552186-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-MET inhibitors CEPHALON, INC. (US) 2013-10-08 — — US disclosed
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors CEPHALON, INC. (US) 2012-06-28 — — US disclosed
US-8148391-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-Met inhibitors CEPHALON, INC. (US) 2012-04-03 — — US disclosed
EP-2222647-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS Cephalon, Inc. (US) 2010-09-01 — — EP disclosed
US-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS CEPHALON, INC. (US) 2009-09-03 — — US disclosed
WO-2008051547-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2008-05-02 — — 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-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS ALK, MET, RET DRD2 779/4885SMN1; SMN2 2836/4885MAPT 3881/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET DRD2 779/4885SMN1; SMN2 2836/4885MAPT 3881/4885

“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.

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