SCHEMBL2061271

SCHEMBL2061271

COc1cccc2c1CCC(=O)CC2

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.50
DRD3 P35462 4/20 0.50
CHRM2 P08172 5/20 0.49
CHRM1 P11229 5/20 0.49
CHRM3 P20309 5/20 0.49
DRD1 P21728 1/20 0.49
DRD5 P21918 1/20 0.49
DRD4 P21917 2/20 0.47
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL19133719 0.90 DRD2 (0.58) DRD2DRD3CHRM2CHRM1CHRM3
Ammonia Solution, Strong SCHEMBL7667257 0.88 DRD2 (0.56) DRD2DRD3CHRM2CHRM1CHRM3
SCHEMBL29396439 0.87 DRD2 (0.49) DRD2DRD3CHRM2CHRM1CHRM3
SCHEMBL268506 0.87 DRD2 (0.49) DRD2DRD3CHRM2CHRM1CHRM3
SCHEMBL266381 0.87 DRD2 (0.55) DRD2DRD3CHRM2CHRM1CHRM3
SCHEMBL5143947 0.80 KDM4E (0.61) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL2061100 0.79 DRD2 (0.47) DRD2DRD3CHRM2CHRM1CHRM3
SCHEMBL2061606 0.79 DRD2 (0.54) DRD2DRD3CHRM2CHRM1CHRM3
SCHEMBL2231378 0.79 DRD2 (0.54) DRD2DRD3CHRM2CHRM1CHRM3
SCHEMBL506893 0.79 DRD2 (0.54) DRD2DRD3CHRM2CHRM1CHRM3

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 DRD2 779/4885DRD3 1401/4885CHRM2 2093/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET DRD2 779/4885DRD3 1401/4885CHRM2 2093/4885

“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.