SCHEMBL3585755

SCHEMBL3585755

CN1CCN(c2ccc(CC#N)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.55
CHKA P35790 2/20 0.54
ALDH1A1 P00352 4/20 0.52
GAA P10253 2/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ADRA2C P18825 1/20 0.52
GFER P55789 1/20 0.52
KMT2A Q03164 1/20 0.52
PTK2B Q14289 1/20 0.52
ESR2 Q92731 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.46
SIRT6 Q8N6T7 1/20 0.45
CTSL P07711 2/20 0.45
CTSS P25774 2/20 0.45
CTSK P43235 2/20 0.45
CHEK1 O14757 1/20 0.44
CTSB P07858 1/20 0.44
HTR2A P28223 1/20 0.44
HTR6 P50406 1/20 0.44

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
SCHEMBL3589309 0.85 L3MBTL3 (0.47) NCF1ALDH1A1MAPTKMT2AL3MBTL1
SCHEMBL3590202 0.82 AGXT (0.43) NCF1CHKAALDH1A1GAAMAPT
SCHEMBL4577411 0.82 ALDH1A1 (0.56) NCF1CHKAALDH1A1GAAMAPT
SCHEMBL3451425 0.82 CHKA (0.54) NCF1CHKAALDH1A1GAAMAPT
SCHEMBL12497577 0.81 CHKA (0.47) NCF1CHKAALDH1A1GAAMAPT
SCHEMBL4181983 0.80 AGXT (0.60) ADRA2CCTSLCTSKCHEK1HTR2A
SCHEMBL12496637 0.80 MEN1 (0.50) ALDH1A1GAAMAPTKDM4EKMT2A
SCHEMBL3589553 0.80 DRD2 (0.46) CHKAMAPTKMT2AL3MBTL1CTSL
SCHEMBL6487420 0.79 KDM4E (0.63) GAAKDM4EHTR2A
SCHEMBL3594477 0.79 LMNA (0.61) NCF1CHKAALDH1A1KDM4E

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110467629-B Benzoquinone derivative, pharmaceutical composition and application thereof 上海迪诺医药科技有限公司 2022-04-08 CN disclosed
CN-110467629-A Quinone derivatives, its pharmaceutical composition and application SHANGHAI DE NOVO PHARMATECH CO LTD 2019-11-19 CN disclosed
US-20100029636-A1 Lck inhibitors NOVARTIS AG (CH) 2010-02-04 US disclosed
US-20100029636-A1 Lck inhibitors NOVARTIS AG (CH) 2010-02-04 US disclosed
US-20100029636-A1 Lck inhibitors NOVARTIS AG (CH) 2010-02-04 US disclosed
CN-101516888-A Pyrazolo [1, 5-a] pyrimidine derivatives and their therapeutic use NOVARTIS AG (CH) 2009-08-26 CN disclosed
EP-2074127-A1 PYRAZOLO [1, 5-A]PYRIMIDINE DERIVATIVES AND THEIR THERAPEUTIC USE Novartis AG (CH) 2009-07-01 EP disclosed
US-20090099167-A1 Organic compounds NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH 2009-04-16 US disclosed
CN-101394853-A Use of pyrazolo [1, 5-a ] pyrimidin-7-ylamine derivatives in the treatment of neurological disorders NOVARTIS AG (CH) 2009-03-25 CN disclosed
US-20090069315-A1 Use of Pyrazolo(1,5A)Pyrimidin-7-YL Amine Derivatives in the Treatment of Neurological Disorders SIVASANKARAN RAJEEV 2009-03-12 US disclosed
EP-1993552-A2 USE OF PYRAZOLO[1,5A]PYRIMIDIN-7-YL AMINE DERIVATIVES IN THE TREATMENT OF NEUROLOGICAL DISORDERS Novartis AG (CH) 2008-11-26 EP disclosed
WO-2008037459-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AND THEIR THERAPEUTIC USE NOVARTIS AG (CH) 2008-04-03 WO disclosed
WO-2008037459-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AND THEIR THERAPEUTIC USE NOVARTIS AG (CH) 2008-04-03 WO disclosed
WO-2007103432-A9 USE OF PYRAZOLO[1,5A]PYRIMIDIN-7-YL AMINE DERIVATIVES IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2008-01-10 WO disclosed
WO-2007103432-A2 USE OF PYRAZOLO[1,5A]PYRIMIDIN-7-YL AMINE DERIVATIVES IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2007-09-13 WO disclosed
CN-1909908-A Pyrazolo [1, 5-a ] pyrimidin-7-yl-amine derivatives for the treatment of protein kinase dependent diseases NOVARTIS AG (CH) 2007-02-07 CN disclosed
EP-1708710-A1 PYRAZOLO[1,5-A]PYRIMIDIN-7-YL-AMINE DERIVATIVES FOR USE IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES Novartis AG (CH) 2006-10-11 EP disclosed
US-20050222171-A1 Organic compounds NOVARTIS AG (CH) 2005-10-06 US disclosed
WO-2005070431-A1 PYRAZOLO[1,5-A]PYRIMIDIN-7-YL-AMINE DERIVATIVES FOR USE IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2005-08-04 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 (4 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-20090069315-A1 Use of Pyrazolo(1,5A)Pyrimidin-7-YL Amine Derivatives in the Treatment of Neurological Disorders EPHA5, EPHA7, EPHA1 NCF1 3655/4885CHKA 480/4885ALDH1A1 578/4885
US-20050222171-A1 Organic compounds JAK1, MAP3K5, MAP3K7 NCF1 3776/4885CHKA 279/4885ALDH1A1 1515/4885
US-20090099167-A1 Organic compounds JAK1, MAP3K5, MAP3K7 NCF1 3776/4885CHKA 279/4885ALDH1A1 1515/4885
US-20100029636-A1 Lck inhibitors LCK, ZAP70, FYN NCF1 623/4885CHKA 584/4885ALDH1A1 4236/4885

“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.