SCHEMBL2062385

SCHEMBL2062385

CC(=O)NC1CC(C)(C)c2ccc([N+](=O)[O-])cc2NC1=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
INSR P06213 2/20 0.41
MET P08581 2/20 0.41
AKR1B1 P15121 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
SYK P43405 3/20 0.39
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 2/20 0.37
PKM P14618 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HSPA9 P38646 1/20 0.36

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
SCHEMBL2062654 0.89 SYK (0.49) INSRMETAKR1B1L3MBTL1SYK
SCHEMBL2062759 0.87 INSR (0.45) INSRMETAKR1B1L3MBTL1SYK
SCHEMBL2061635 0.85 INSR (0.46) INSRMETAKR1B1L3MBTL1SYK
SCHEMBL2062582 0.85 INSR (0.46) INSRMETSYKKMT2AALDH1A1
SCHEMBL2060530 0.85 INSR (0.46) INSRMETAKR1B1KMT2AALDH1A1
SCHEMBL2060994 0.82 INSR (0.43) INSRMETSYK
SCHEMBL13007537 0.79 SIRT2 (0.45) KMT2AALDH1A1MEN1GAA
SCHEMBL2061536 0.78 AKR1B1 (0.44) AKR1B1KMT2AALDH1A1MEN1GAA
SCHEMBL2062098 0.78 AKR1B1 (0.44) AKR1B1KMT2AALDH1A1MEN1GAA
SCHEMBL2061032 0.75 HTT (0.39) ALDH1A1GAAMAPT

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 INSR 241/4885MET 2/4885AKR1B1 1034/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET INSR 241/4885MET 2/4885AKR1B1 1034/4885

“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.