SCHEMBL2060865

SCHEMBL2060865

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
INSR P06213 1/20 0.44
MET P08581 1/20 0.44
SCN9A Q15858 1/20 0.39
MAPT P10636 5/20 0.39
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
PAX8 Q06710 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL2060579 0.89 ALDH1A1 (0.46) SCN9AMAPTALDH1A1NPC1RAB9A
SCHEMBL2060263 0.87 SCN9A (0.44) SCN9AMAPTALDH1A1RAB9AKMT2A
SCHEMBL2061816 0.86 INSR (0.46) INSRMETSCN9AMAPTALDH1A1
SCHEMBL2060573 0.84 MAPT (0.46) INSRMETMAPTALDH1A1KMT2A
SCHEMBL2061746 0.83 MET (0.46) INSRMETMAPTALDH1A1KMT2A
SCHEMBL2061942 0.82 INSR (0.41) INSRMETSCN9AMAPTALDH1A1
SCHEMBL2062244 0.81 NOTUM (0.48) MAPTALDH1A1RAB9AKMT2ALMNA
SCHEMBL2060614 0.81 ALDH1A1 (0.46) METMAPTALDH1A1NPC1RAB9A
SCHEMBL8126292 0.80 SCN9A (0.50) SCN9AMAPTALDH1A1NPC1RAB9A
SCHEMBL28560567 0.80 ALDH1A1 (0.47) MAPTALDH1A1KMT2AMAPK1HTT

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 2/4885SCN9A 3611/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET INSR 241/4885MET 2/4885SCN9A 3611/4885

“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.