SCHEMBL2062472

SCHEMBL2062472

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

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 6/20 0.64
ADRA2A P08913 5/20 0.43
PNMT P11086 5/20 0.43
HDAC8 Q9BY41 2/20 0.41
POLB P06746 1/20 0.40
ADRA2B P18089 1/20 0.39
ADRA2C P18825 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
SCHEMBL12670596 0.77 GRIN2B (0.61) GRIN2BADRA2APNMTHDAC8POLB
SCHEMBL9483063 0.73 PNMT (0.65) GRIN2BADRA2APNMTADRA2BADRA2C
SCHEMBL30709850 0.73 PNMT (0.65) GRIN2BADRA2APNMTADRA2BADRA2C
SCHEMBL467795 0.72 GRIN2B (0.55) GRIN2BADRA2APNMTADRA2BADRA2C
SCHEMBL1919026 0.72 GRIN2B (0.55) GRIN2BADRA2APNMTADRA2BADRA2C
SCHEMBL2832699 0.72 GRIN2B (0.54) GRIN2BADRA2APNMTADRA2BADRA2C
SCHEMBL1951725 0.71 ADRA2A (0.46) GRIN2BADRA2APNMT
SCHEMBL8185940 0.71 GRIN2B (0.86) GRIN2BHDAC8POLB
SCHEMBL8765336 0.71 GRIN2B (0.48) GRIN2BADRA2APNMTHDAC8ADRA2B
SCHEMBL8765343 0.70 GRIN2B (0.57) GRIN2BADRA2APNMTHDAC8ADRA2B

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 GRIN2B 2879/4885ADRA2A 2163/4885PNMT 2981/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET GRIN2B 2879/4885ADRA2A 2163/4885PNMT 2981/4885

“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.