SCHEMBL2060263

SCHEMBL2060263

COC(=O)N1CCCOc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.44
MAPT P10636 6/20 0.44
KMT2A Q03164 6/20 0.43
MEN1 O00255 3/20 0.43
MAPK1 P28482 2/20 0.43
HTT P42858 2/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 3/20 0.42
PAX8 Q06710 1/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 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
SCHEMBL8126292 0.93 SCN9A (0.50) SCN9AMAPTKMT2AMEN1MAPK1
SCHEMBL2060579 0.88 ALDH1A1 (0.46) SCN9AMAPTKMT2AMEN1RAB9A
SCHEMBL2061942 0.87 INSR (0.41) SCN9AMAPTMAPK1HTTALDH1A1
SCHEMBL2060865 0.87 INSR (0.44) SCN9AMAPTKMT2AMEN1MAPK1
SCHEMBL2062244 0.86 NOTUM (0.48) MAPTKMT2AMEN1RAB9AKDM4E
SCHEMBL2060573 0.85 MAPT (0.46) MAPTKMT2AMEN1MAPK1HTT
SCHEMBL28560567 0.85 ALDH1A1 (0.47) MAPTKMT2AMEN1MAPK1HTT
SCHEMBL2061816 0.81 INSR (0.46) SCN9AMAPTKMT2ARAB9AALDH1A1
SCHEMBL2061133 0.81 MEN1 (0.48) MAPTKMT2AMEN1HTTALDH1A1
SCHEMBL2062006 0.80 KDM4E (0.47) MAPTKMT2AMEN1MAPK1HTT

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 SCN9A 3611/4885MAPT 3881/4885KMT2A 501/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET SCN9A 3611/4885MAPT 3881/4885KMT2A 501/4885

“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.