SCHEMBL2061992

SCHEMBL2061992

CN1CCCCc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.51
LMNA P02545 3/20 0.51
SIRT2 Q8IXJ6 1/20 0.51
GAA P10253 3/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
HPGD P15428 2/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
CYP1A2 P05177 3/20 0.48
CYP3A4 P08684 3/20 0.48
CYP2C19 P33261 3/20 0.48
HTT P42858 1/20 0.48
CYP2C9 P11712 2/20 0.45
CYP2D6 P10635 1/20 0.45
MCOLN3 Q8TDD5 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CASP6 P55212 2/20 0.43

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
SCHEMBL3481133 0.95 ALDH1A1 (0.55) ALDH1A1LMNASIRT2GAAKMT2A
SCHEMBL3885369 0.89 SIRT2 (0.55) ALDH1A1LMNASIRT2GAAKMT2A
SCHEMBL28435158 0.88 GAA (0.47) ALDH1A1LMNASIRT2GAAMAPT
SCHEMBL3586952 0.83 ROCK1 (0.46) ALDH1A1LMNASIRT2GAAKMT2A
SCHEMBL2674759 0.79 SIGMAR1 (0.47) ALDH1A1LMNASIRT2GAAKMT2A
SCHEMBL21671871 0.79 SIRT6 (0.50) ALDH1A1LMNASIRT2GAAKMT2A
SCHEMBL2060750 0.78 SIRT2 (0.56) ALDH1A1LMNASIRT2GAAKMT2A
SCHEMBL9499652 0.77 L3MBTL1 (0.51) ALDH1A1LMNAGAAKMT2ASMN1; SMN2
SCHEMBL27490442 0.77 PNMT (0.56) ALDH1A1LMNASIRT2GAACYP1A2
SCHEMBL2312739 0.76 ROCK1 (0.51) ALDH1A1LMNASIRT2GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107652303-B Novel thienopyrimidine derivatives, preparation method and therapeutic use thereof 赛诺菲 2020-08-04 CN disclosed
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 ALDH1A1 77/4885LMNA 3814/4885SIRT2 4616/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET ALDH1A1 77/4885LMNA 3814/4885SIRT2 4616/4885

“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.