SCHEMBL2060997

SCHEMBL2060997

COc1cc2c(cc1N)CCN(CCNC(C)=O)CC2

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.51
DRD3 P35462 3/20 0.51
DRD2 P14416 2/20 0.51
HTR4 Q13639 2/20 0.48
DRD4 P21917 1/20 0.48
NQO2 P16083 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ABCB1 P08183 2/20 0.43
TMEM97 Q5BJF2 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43

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
SCHEMBL2062588 0.81 NQO2 (0.51) SIGMAR1DRD3DRD2DRD4NQO2
SCHEMBL519439 0.80 DRD2 (0.47) DRD2HTR4ABCB1ABCG2
SCHEMBL2062389 0.78 ABCB1 (0.55) DRD2HTR4SMN1; SMN2ABCB1
SCHEMBL520329 0.78 L3MBTL1 (0.47) SIGMAR1DRD3DRD2ABCB1ABCG2
SCHEMBL7952584 0.78 SIGMAR1 (0.65) SIGMAR1DRD3DRD2DRD4ABCB1
SCHEMBL519316 0.77 ABCB1 (0.47) HTR4SMN1; SMN2ABCB1
SCHEMBL2060763 0.77 ALDH1A1 (0.51) SMN1; SMN2ABCB1
SCHEMBL2061123 0.76 CA7 (0.47) SMN1; SMN2ABCB1ABCG2
SCHEMBL2061715 0.76 SYK (0.48) SMN1; SMN2ABCB1
SCHEMBL6287541 0.76 PDE4A (0.40) SIGMAR1DRD3DRD2HTR4DRD4

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 3683/4885DRD3 1401/4885DRD2 779/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET SIGMAR1 3683/4885DRD3 1401/4885DRD2 779/4885

“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.