SCHEMBL4499003

SCHEMBL4499003

CN(C)CCCN1CCN(c2ccc(N)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
GAA P10253 3/20 0.58
MAPT P10636 3/20 0.58
GFER P55789 3/20 0.58
RAD52 P43351 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
ALDH1A1 P00352 2/20 0.54
ADRA2C P18825 1/20 0.54
KMT2A Q03164 1/20 0.54
PTK2B Q14289 1/20 0.54
ESR2 Q92731 1/20 0.54
HSD17B10 Q99714 1/20 0.49
CYP2D6 P10635 1/20 0.47
KCNH2 Q12809 1/20 0.47
HTR7 P34969 5/20 0.47
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 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
SCHEMBL6151797 0.90 MAPT (0.62) KDM4EGAAMAPTGFERRAD52
SCHEMBL4438019 0.90 MAPT (0.62) KDM4EGAAMAPTGFERRAD52
SCHEMBL29258877 0.82 KDM4E (0.69) KDM4EGAAMAPTGFERRAD52
SCHEMBL10564975 0.79 KDM4E (0.72) KDM4EGAAMAPTGFERRAD52
SCHEMBL1364675 0.79 MAPT (0.59) KDM4EGAAMAPTGFERRAD52
SCHEMBL14320563 0.79 MAPT (0.59) KDM4EGAAMAPTGFERRAD52
SCHEMBL6152013 0.79 MAPT (0.59) KDM4EGAAMAPTGFERRAD52
SCHEMBL4507337 0.79 SIRT6 (0.60) MAPTALDH1A1KMT2AHTR7LMNA
SCHEMBL374548 0.78 KDM4E (0.73) KDM4EGAAMAPTGFERRAD52
SCHEMBL5707955 0.78 MAPT (0.58) KDM4EGAAMAPTGFERRAD52

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
US-9718821-B2 Pyridopyrimidinone inhibitors of kinases ABBVIE INC. (US) 2017-08-01 US disclosed
EP-2817308-B1 PYRIDOPYRIMIDINONE INHIBITORS OF KINASES ABBVIE INC (US) 2016-09-07 EP disclosed
EP-2681221-B1 TRICYCLIC INHIBITORS OF KINASES ABBVIE INC (US) 2016-05-18 EP disclosed
EP-2817308-A1 PYRIDOPYRIMIDINONE INHIBITORS OF KINASES AbbVie Inc. (US) 2014-12-31 EP disclosed
US-8710065-B2 Tricyclic inhibitors of kinases ABBVIE INC. (US) 2014-04-29 US disclosed
EP-2681221-A1 TRICYCLIC INHIBITORS OF KINASES AbbVie Inc. (US) 2014-01-08 EP disclosed
US-20130225589-A1 PYRIDOPYRIMIDINONE INHIBITORS OF KINASES ABBVIE INC. (US) 2013-08-29 US disclosed
WO-2013126656-A1 PYRIDOPYRIMIDINONE INHIBITORS OF KINASES ABBVIE INC. (US) 2013-08-29 WO disclosed
WO-2012161812-A1 TRICYCLIC INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-11-29 WO disclosed
US-20120220572-A1 TRICYCLIC INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-08-30 US disclosed
EP-1682531-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-07-26 EP disclosed
EP-1664053-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2006-06-07 EP disclosed
EP-1648464-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINCARBOXAMID DERIVATIVES AND RELATED COMPOUNDS AS T-CELL ACTIVATION INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS AMGEN INC. (US) 2006-04-26 EP disclosed
US-20050209221-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-09-22 US disclosed
US-20050107374-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-05-19 US disclosed
WO-2005042518-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2005-05-12 WO disclosed
US-20050070554-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-03-31 US disclosed
WO-2005021551-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2005-03-10 WO disclosed
US-20050026914-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-02-03 US disclosed
WO-2005009443-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINECARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF T CELL ACTIVATION FOR THE TREATMENT OF INFLAMMATORY DISEASES AMGEN INC. (US) 2005-02-03 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 (6 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-20050026914-A1 Substituted heterocyclic compounds and methods of use NFATC1, ICOS, BET1 KDM4E 2574/4885GAA 3390/4885MAPT 1512/4885
US-20130225589-A1 PYRIDOPYRIMIDINONE INHIBITORS OF KINASES WEE1, WEE2, CDK1 KDM4E 585/4885GAA 2624/4885MAPT 2447/4885
US-20050070554-A1 Substituted heterocyclic compounds and methods of use NFATC1, ICOS, PAICS KDM4E 3392/4885GAA 3173/4885MAPT 2631/4885
US-20120220572-A1 TRICYCLIC INHIBITORS OF KINASES WEE1, WEE2, CDK1 KDM4E 482/4885GAA 1670/4885MAPT 2484/4885
US-20050107374-A1 Substituted heterocyclic compounds and methods of use ICOS, CD4, HLA-DRB1 KDM4E 3615/4885GAA 2271/4885MAPT 333/4885
US-20050209221-A1 Substituted heterocyclic compounds and methods of use ICOS, CD4, HLA-DRB1 KDM4E 3016/4885GAA 2488/4885MAPT 353/4885

“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.