SCHEMBL2060799

SCHEMBL2060799

CN1CCNC(=O)c2cc(N)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
CDC7 O00311 3/20 0.39
PARP10 Q53GL7 4/20 0.37
PARP11 Q9NR21 2/20 0.37
PKN1 Q16512 1/20 0.37
PKN2 Q16513 1/20 0.37
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
RAD52 P43351 1/20 0.36
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
NR4A1 P22736 1/20 0.35
KMT2A Q03164 1/20 0.35
PTK2B Q14289 1/20 0.35
PARP1 P09874 7/20 0.35
ATAD2 Q6PL18 1/20 0.34
DDB1 Q16531 1/20 0.34

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
SCHEMBL2062159 0.88 PARP10 (0.41) NR1H2NR1H3CDC7PARP10PARP11
SCHEMBL21333606 0.83 PARP10 (0.53) CDC7PARP10PARP11PKN1PKN2
SCHEMBL6510705 0.81 PARP1 (0.51) PARP10PARP11KDM4EALDH1A1GAA
SCHEMBL16349626 0.77 PARP1 (0.46) PARP10PARP11PARP1
SCHEMBL2060905 0.77 CASP3 (0.50) NR1H2NR1H3MAPTALDH1A1GAA
Hydrochloric Acid SCHEMBL30123734 0.76 PARP1 (0.44) PARP10PARP11PARP1
SCHEMBL23160030 0.75 PARP10 (0.51) CDC7PARP10PARP11PKN1PKN2
SCHEMBL30914657 0.75 PARP10 (0.51) CDC7PARP10PARP11PKN1PKN2
SCHEMBL7002012 0.75 NR1H2 (0.48) NR1H2NR1H3MAPTKDM4ERAD52
SCHEMBL2060314 0.72 TNF (0.44) NR1H2NR1H3PKN2MAPTALDH1A1

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 13 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-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
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
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
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 NR1H2 4438/4885NR1H3 4526/4885CDC7 839/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET NR1H2 4438/4885NR1H3 4526/4885CDC7 839/4885

“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.