SCHEMBL2061544

SCHEMBL2061544

CS(=O)(=O)N1CCc2ccc([N+](=O)[O-])cc2CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
LMNA P02545 3/20 0.56
AKR1C3 P42330 2/20 0.51
KMT2A Q03164 4/20 0.50
MEN1 O00255 2/20 0.50
POLB P06746 1/20 0.50
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
ADRA2A P08913 1/20 0.48
PNMT P11086 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
HRH3 Q9Y5N1 2/20 0.45
RECQL P46063 1/20 0.44
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
CYP2D6 P10635 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL3187597 0.91 ESR1 (0.61) ALDH1A1LMNAAKR1C3KMT2AMEN1
SCHEMBL30561523 0.91 AKR1C3 (0.58) ALDH1A1LMNAAKR1C3KMT2AMEN1
SCHEMBL4135021 0.91 AKR1C3 (0.58) ALDH1A1LMNAAKR1C3KMT2AMEN1
SCHEMBL1950525 0.82 PNMT (0.54) ALDH1A1LMNAKMT2AMEN1POLB
SCHEMBL1946363 0.82 AKR1C3 (0.55) ALDH1A1LMNAAKR1C3KMT2AMEN1
SCHEMBL22898424 0.81 LMNA (0.51) ALDH1A1LMNAAKR1C3KMT2AMEN1
SCHEMBL29990004 0.78 MAOA (0.50) ALDH1A1LMNAAKR1C3KMT2AMEN1
SCHEMBL20232216 0.78 MAOA (0.50) ALDH1A1LMNAAKR1C3KMT2AMEN1
SCHEMBL30709850 0.78 PNMT (0.65) ALDH1A1LMNAKMT2AMEN1ADRA2A
SCHEMBL9483063 0.78 PNMT (0.65) ALDH1A1LMNAKMT2AMEN1ADRA2A

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 ALDH1A1 77/4885LMNA 3814/4885AKR1C3 563/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET ALDH1A1 77/4885LMNA 3814/4885AKR1C3 563/4885

“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.