SCHEMBL521473

SCHEMBL521473

CN(C)C(=O)CN1CCc2ccc(N)cc2CC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.57
NR1H2 P55055 1/20 0.44
JAK2 O60674 10/20 0.42
PTK2 Q05397 10/20 0.42
JAK3 P52333 9/20 0.42
HSD17B3 P37058 1/20 0.40
RAD52 P43351 1/20 0.39
ALDH1A1 P00352 1/20 0.39
INSR P06213 3/20 0.39
ALK Q9UM73 3/20 0.39
KCNH2 Q12809 1/20 0.38

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
SCHEMBL31438767 0.81 HDAC1 (0.54) DRD2JAK2PTK2JAK3INSR
SCHEMBL2061037 0.80 RAD52 (0.48) NR1H2HSD17B3RAD52ALDH1A1
SCHEMBL521786 0.79 DRD2 (0.47) DRD2ALDH1A1
SCHEMBL2061845 0.78 NR1H2 (0.53) NR1H2HSD17B3ALDH1A1
SCHEMBL2060677 0.77 DRD2 (0.54) DRD2JAK2PTK2JAK3ALDH1A1
SCHEMBL20910192 0.76 MEN1 (0.49) DRD2ALDH1A1
SCHEMBL1806713 0.75 DRD2 (0.54) DRD2NR1H2HSD17B3RAD52KCNH2
SCHEMBL1950288 0.74 DRD2 (0.45) DRD2JAK2PTK2JAK3ALDH1A1
SCHEMBL1813872 0.74 MAPT (0.57) RAD52ALDH1A1
SCHEMBL521636 0.74 NR1H2 (0.49) NR1H2HSD17B3ALDH1A1

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 23 patents — showing the first 20. 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-2168966-B1 BICYCLOANILINE DERIVATIVE MSD KK (JP) 2016-09-28 EP disclosed
EP-2168966-B1 BICYCLOANILINE DERIVATIVE MSD KK (JP) 2016-09-28 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-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 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-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
US-8436004-B2 Bicycloaniline derivative MSD K.K. (JP) 2013-05-07 US disclosed
US-8436004-B2 Bicycloaniline derivative MSD K.K. (JP) 2013-05-07 US disclosed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
US-20110135601-A1 BICYCLOANILINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. 2011-06-09 US disclosed
US-20110135601-A1 BICYCLOANILINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. 2011-06-09 US disclosed
US-20110135601-A1 BICYCLOANILINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. 2011-06-09 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
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO disclosed
EP-2168966-A1 BICYCLOANILINE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-03-31 EP disclosed
EP-2168966-A1 BICYCLOANILINE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-03-31 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 779/4885NR1H2 4438/4885JAK2 33/4885
US-20110135601-A1 BICYCLOANILINE DERIVATIVE WEE1, WEE2, CCNK DRD2 3153/4885NR1H2 1731/4885JAK2 236/4885

“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.