SCHEMBL2061546

SCHEMBL2061546

Nc1ccc2c(c1)OCCCN2C(=O)CN1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
POLB P06746 2/20 0.43
PKM P14618 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
INSR P06213 1/20 0.42
MET P08581 1/20 0.42
RAD52 P43351 3/20 0.41
GFER P55789 2/20 0.39
KMT2A Q03164 2/20 0.38
ALOX15 P16050 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
YWHAG P61981 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37

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
SCHEMBL2063223 0.90 ALDH1A1 (0.43) KDM4EALDH1A1POLBPKMDRD2
SCHEMBL2062032 0.81 INSR (0.43) KDM4EALDH1A1POLBINSRMET
SCHEMBL2061732 0.81 DRD4 (0.48) KDM4EALDH1A1POLBPKMDRD2
SCHEMBL2060747 0.80 NOTUM (0.52) KDM4EINSRMETGFERKMT2A
SCHEMBL2062453 0.78 MET (0.42) KDM4EALDH1A1INSRMETGFER
SCHEMBL2062006 0.77 KDM4E (0.47) KDM4EALDH1A1INSRMETRAD52
SCHEMBL2060440 0.74 MET (0.43) KDM4EINSRMETGFERKMT2A
SCHEMBL2061746 0.74 MET (0.46) KDM4EALDH1A1INSRMETGFER
SCHEMBL2062786 0.74 DRD2 (0.48) KDM4EALDH1A1POLBPKMDRD2
SCHEMBL2062119 0.74 NOS3 (0.47) KDM4EALDH1A1POLBINSRMET

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 KDM4E 729/4885ALDH1A1 77/4885POLB 2680/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET KDM4E 729/4885ALDH1A1 77/4885POLB 2680/4885

“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.