SCHEMBL4222683

SCHEMBL4222683

CCN1CCN(c2c[c]ccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.62
GAA P10253 3/20 0.50
RAD52 P43351 3/20 0.50
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GFER P55789 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
DRD2 P14416 3/20 0.46
SIGMAR1 Q99720 1/20 0.46
KHK P50053 2/20 0.41
HRH3 Q9Y5N1 1/20 0.40
DRD4 P21917 1/20 0.40
KCNH2 Q12809 1/20 0.40
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM1A O60341 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39

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
SCHEMBL27581509 0.87 DRD2 (0.65) CHRNA7GAAKDM4EDRD2SIGMAR1
SCHEMBL20765477 0.82 ALDH1A1 (0.49) CHRNA7GAAMAPTKDM4EGFER
SCHEMBL4576039 0.81 DRD2 (0.45) CHRNA7DRD2SIGMAR1KCNH2
SCHEMBL282701 0.80 ADRA2C (0.50) GAARAD52MAPTKDM4EGFER
SCHEMBL29005764 0.80 KCNH2 (0.45) MAPTDRD2SIGMAR1KCNH2MEN1
SCHEMBL4575709 0.80 DRD2 (0.44) CHRNA7DRD2SIGMAR1KCNH2MEN1
SCHEMBL1443053 0.80 LMNA (0.47) CHRNA7GAAMAPTSMN1; SMN2DRD2
SCHEMBL4233743 0.79 DRD4 (0.70) MAPTKDM4EDRD2SIGMAR1DRD4
SCHEMBL188197 0.78 CHRNA7 (0.66) CHRNA7GAARAD52MAPTKDM4E
SCHEMBL7643296 0.78 MAPT (0.51) MAPTGFERSMN1; SMN2MEN1KMT2A

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102741256-A Bicyclic heteroaryl derivatives having inhibitory activity for protein kinase HANMI PHARM IND CO LTD 2012-10-17 CN claimed
US-10155767-B2 Therapeutic agent of acute myeloid leukemia containing 1,3,7-trisubstituted 3,4-dihydropyrimido[4,5-D]pyrimidine-2(1H)-one derivatives KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2018-12-18 US disclosed
US-20180065969-A1 THERAPEUTIC AGENT OF ACUTE MYELOID LEUKEMIA CONTAINING 1,3,7-TRISUBSTITUTED 3,4-DIHYDROPYRIMIDO[4,5-D]PYRIMIDINE-2(1H)-ONE DERIVATIVES KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2018-03-08 US disclosed
CN-102741256-A Bicyclic heteroaryl derivatives having inhibitory activity for protein kinase HANMI PHARM IND CO LTD 2012-10-17 CN disclosed
EP-1931670-B1 PYRIDOPYRIMIDINONE INHIBITORS OF PI3K EXELIXIS INC (US) 2012-09-12 EP disclosed
US-8247408-B2 Pyridopyrimidinone inhibitors of PI3Kα for the treatment of cancer EXELIXIS, INC. (US) 2012-08-21 US disclosed
CN-1549717-B Cysteine protease inhibitors having 2-cyano-4-aminopyrimidine structure and cathepsin K inhibitory activity and pharmaceutical use thereof NOVARTIS AG 2011-08-17 CN disclosed
US-20090062274-A1 Pyridopyrimidinone inhibitors of pi3kalpha EXELIXIS, INC (US) 2009-03-05 US disclosed
US-20080219996-A1 Molecular Markers Associated with Bone Metastasis NOVARTIS AG (CH) 2008-09-11 US disclosed
CN-100406016-C Combination of cathepsin K inhibitors and bisphosphonates for the treatment of bone metastasis, tumor growth and tumor-induced bone loss NOVARTIS AG (CH) 2008-07-30 CN disclosed
CN-1826124-A Combination of cathepsin K inhibitors and bisphosphonates for the treatment of bone metastasis, tumor growth and tumor-induced bone loss NOVARTIS AG (CH) 2006-08-30 CN disclosed
EP-1686995-A1 USE OF CATHEPSIN K INHIBITORS FOR TREATING OF SEVERE BONE LOSS DISEASES Novartis AG (CH) 2006-08-09 EP disclosed
EP-1651238-A1 COMBINATIONS OF A CATHEPSIN K INHIBITOR AND A BISPHOPHONATE IN THE TREATMENT OF BONE METASTASIS, TUMOR GROWTH AND TUMOR-INDUCED BONE LOSS Novartis AG (CH) 2006-05-03 EP disclosed
US-20060074092-A1 Cysteine protease inhibitors with 2-cyano-4-amino-pyrimidine structure and cathepsin K inhibitory activity for the treatment of inflammations and other diseases ALTMANN EVA 2006-04-06 US disclosed
WO-2005049028-A1 USE OF CATHEPSIN K INHIBITORS IN SEVERE BONE LOSS DISEASES NOVARTIS AG (CH) 2005-06-02 WO disclosed
WO-2005014006-A1 COMBINATIONS OF A CATHEPSIN K INHIBITOR AND A BISPHOPHONATE IN THE TREATMENT OF BONE METASTASIS, TUMOR GROWTH AND TUMOR-INDUCED BONE LOSS NOVARTIS AG (CH) 2005-02-17 WO disclosed
US-20040249153-A1 Cysteine protease inhibitors with 2-cyano-4-amino-pyrimidine structure and cathepsin k inhibitory activity for the treatment of inflammations and other diseases NOVARTIS AG (CH) 2004-12-09 US disclosed
CN-1549717-A Cysteine protease inhibitors having 2-cyano-4-aminopyrimidine structure and cathepsin K inhibitory activity for the treatment of inflammation and other diseases ��˹��ŵ�� 2004-11-24 CN disclosed
EP-1423121-A1 CYSTEINE PROTEASE INHIBITORS WITH 2-CYANO-4-AMINO-PYRIMIDINE STRUCTURE AND CATHEPSIN K INHIBITORY ACTIVITY FOR THE TREATMENT OF INFLAMMATIONS AND OTHER DISEASES Novartis AG (CH) 2004-06-02 EP disclosed
WO-2003020278-A1 CYSTEINE PROTEASE INHIBITORS WITH 2-CYANO-4-AMINO-PYRIMIDINE STRUCTURE AND CATHEPSIN K INHIBITORY ACTIVITY FOR THE TREATMENT OF INFLAMMATIONS AND OTHER DISEASES NOVARTIS AG (CH) 2003-03-13 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-10155767-B2 Therapeutic agent of acute myeloid leukemia containing 1,3,7-trisubstituted 3,4-dihydropyrimido[4,5-D]pyrimidine-2(1H)-one derivatives GAK, DCK, NRAS CHRNA7 4079/4885GAA 4009/4885RAD52 4165/4885
US-20090062274-A1 Pyridopyrimidinone inhibitors of pi3kalpha PIK3CA, PIK3CD, PIK3CB CHRNA7 3836/4885GAA 935/4885RAD52 3907/4885
US-20180065969-A1 THERAPEUTIC AGENT OF ACUTE MYELOID LEUKEMIA CONTAINING 1,3,7-TRISUBSTITUTED 3,4-DIHYDROPYRIMIDO[4,5-D]PYRIMIDINE-2(1H)-ONE DERIVATIVES GAK, DCK, NRAS CHRNA7 4079/4885GAA 4009/4885RAD52 4165/4885
US-20040249153-A1 Cysteine protease inhibitors with 2-cyano-4-amino-pyrimidine structure and cathepsin k inhibitory activity for the treatment of inflammations and other diseases CTSK, CTSS, CTSZ CHRNA7 3894/4885GAA 381/4885RAD52 4764/4885
US-20080219996-A1 Molecular Markers Associated with Bone Metastasis BST2, BSG, CD44 CHRNA7 4406/4885GAA 4498/4885RAD52 3857/4885
US-20060074092-A1 Cysteine protease inhibitors with 2-cyano-4-amino-pyrimidine structure and cathepsin K inhibitory activity for the treatment of inflammations and other diseases CTSK, CTSS, CTSZ CHRNA7 4044/4885GAA 378/4885RAD52 4751/4885

“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.