SCHEMBL2061592

SCHEMBL2061592

CCN1C2CCC1c1cc(N)ccc1C2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.40
OPRD1 P41143 7/20 0.35
OPRM1 P35372 6/20 0.35
OPRK1 P41145 5/20 0.35
HTR6 P50406 1/20 0.34
HTR1A P08908 2/20 0.34
HTR7 P34969 1/20 0.34
ATAD2 Q6PL18 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
RAD52 P43351 1/20 0.33
GFER P55789 1/20 0.33
DRD1 P21728 1/20 0.33
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL2061492 0.82 HTR2A (0.36) SIGMAR1OPRD1OPRM1OPRK1HTR6
SCHEMBL10229389 0.80 DRD1 (0.38) SIGMAR1OPRD1OPRM1OPRK1HTR6
SCHEMBL2062840 0.74 GRM5 (0.37) GAA
SCHEMBL18186398 0.72 BRD4 (0.35) OPRD1OPRM1OPRK1ATAD2GAA
SCHEMBL2061681 0.70 BRD4 (0.45) ATAD2
SCHEMBL18186312 0.69 NR1H2 (0.48) MAPTALDH1A1HTT
SCHEMBL2908344 0.64 GAA (0.38) GAAMAPTDRD1DRD2HTR2A
SCHEMBL14524771 0.63 OPRM1 (0.42) SIGMAR1OPRM1DRD2
SCHEMBL6406991 0.63 MTNR1B (0.47) HTR1AMAPTRAD52DRD1DRD2
SCHEMBL14495586 0.63 CHEK1 (0.40) HTR1AMAPTRAD52DRD1DRD2

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 SIGMAR1 3683/4885OPRD1 2856/4885OPRM1 1902/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET SIGMAR1 3683/4885OPRD1 2856/4885OPRM1 1902/4885

“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.