SCHEMBL2060974

SCHEMBL2060974

O=[N+]([O-])c1ccc2c(c1)CCC(N1CCOCC1)CC2

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
GRIN2B Q13224 4/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP1B1 Q16678 1/20 0.44
ADRA2A P08913 1/20 0.43
PNMT P11086 1/20 0.43
CTSB P07858 1/20 0.43
GAA P10253 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
AKR1C3 P42330 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
KCNJ1 P48048 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL30223462 0.89 HRH3 (0.45) ALDH1A1GRIN2BMEN1KMT2ACYP1B1
SCHEMBL467693 0.87 GRIN2B (0.49) ALDH1A1GRIN2BMEN1KMT2AADRA2A
SCHEMBL2061518 0.85 MEN1 (0.48) ALDH1A1GRIN2BMEN1KMT2AADRA2A
SCHEMBL1950958 0.84 MEN1 (0.49) GRIN2BMEN1KMT2AADRA2APNMT
SCHEMBL308120 0.83 ALDH1A1 (0.52) ALDH1A1CYP1B1ADRA2APNMTCTSB
Hydrochloric Acid SCHEMBL7467008 0.83 MEN1 (0.48) GRIN2BMEN1KMT2AADRA2APNMT
SCHEMBL2062140 0.83 MEN1 (0.46) ALDH1A1GRIN2BMEN1KMT2AADRA2A
SCHEMBL4764965 0.82 HRH3 (0.50) ALDH1A1GRIN2BMEN1KMT2AADRA2A
SCHEMBL31272476 0.82 GRIN2B (0.42) ALDH1A1GRIN2BMEN1KMT2ACYP1B1
SCHEMBL25835364 0.82 GRIN2B (0.42) ALDH1A1GRIN2BMEN1KMT2ACYP1B1

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 77/4885GRIN2B 2879/4885MEN1 484/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET ALDH1A1 77/4885GRIN2B 2879/4885MEN1 484/4885

“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.